Excited-state derived reference formaldehyde-s1-freq                    
Freq      RB3LYP TD-FC                                                6-31+G(d)           
Number of atoms                            I                4
Charge                                     I                0
Multiplicity                               I                1
Number of electrons                        I               16
Number of alpha electrons                  I                8
Number of beta electrons                   I                8
Number of basis functions                  I               42
Atomic numbers                             I   N=           4
           6           8           1           1
Nuclear charges                            R   N=           4
  6.00000000E+00  8.00000000E+00  1.00000000E+00  1.00000000E+00
Current cartesian coordinates              R   N=          12
 -1.28696018E-01  5.68807563E-04 -1.69275997E-01  2.32145295E+00 -6.80301405E-04
  6.28787471E-02 -1.08725393E+00  1.76916916E+00  3.37189502E-01 -1.08660764E+00
 -1.76905577E+00  3.36127476E-01
Real atomic weights                        R   N=           4
  1.20000000E+01  1.59949146E+01  1.00782504E+00  1.00782504E+00
SCF Energy                                 R     -1.144843607828195E+02
Total Energy                               R     -1.143736735557156E+02
Shell types                                I   N=          14
           0          -1          -1          -1           2           0
          -1          -1          -1           2           0           0
           0           0
Number of primitives per shell             I   N=          14
           6           3           1           1           1           6
           3           1           1           1           3           1
           3           1
Shell to atom map                          I   N=          14
           1           1           1           1           1           2
           2           2           2           2           3           3
           4           4
Primitive exponents                        R   N=          32
  3.04752488E+03  4.57369518E+02  1.03948685E+02  2.92101553E+01  9.28666296E+00
  3.16392696E+00  7.86827235E+00  1.88128854E+00  5.44249258E-01  1.68714478E-01
  4.38000000E-02  8.00000000E-01  5.48467166E+03  8.25234946E+02  1.88046958E+02
  5.29645000E+01  1.68975704E+01  5.79963534E+00  1.55396162E+01  3.59993359E+00
  1.01376175E+00  2.70005823E-01  8.45000000E-02  8.00000000E-01  1.87311370E+01
  2.82539436E+00  6.40121692E-01  1.61277759E-01  1.87311370E+01  2.82539436E+00
  6.40121692E-01  1.61277759E-01
Contraction coefficients                   R   N=          32
  1.83473713E-03  1.40373228E-02  6.88426223E-02  2.32184443E-01  4.67941348E-01
  3.62311985E-01 -1.19332420E-01 -1.60854152E-01  1.14345644E+00  1.00000000E+00
  1.00000000E+00  1.00000000E+00  1.83107443E-03  1.39501722E-02  6.84450781E-02
  2.32714336E-01  4.70192898E-01  3.58520853E-01 -1.10777550E-01 -1.48026263E-01
  1.13076702E+00  1.00000000E+00  1.00000000E+00  1.00000000E+00  3.34946043E-02
  2.34726953E-01  8.13757326E-01  1.00000000E+00  3.34946043E-02  2.34726953E-01
  8.13757326E-01  1.00000000E+00
P(S=P) Contraction coefficients            R   N=          32
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  6.89990666E-02  3.16423961E-01  7.44308291E-01  1.00000000E+00
  1.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  7.08742682E-02  3.39752839E-01
  7.27158577E-01  1.00000000E+00  1.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00
Alpha Orbital Energies                     R   N=          42
 -1.91916579E+01 -1.03070968E+01 -1.02930133E+00 -6.58665520E-01 -5.00795928E-01
 -4.47854682E-01 -3.85495384E-01 -2.83370521E-01 -1.00015936E-01  9.23363460E-03
  3.80974876E-02  4.47564083E-02  6.38747903E-02  1.63930896E-01  2.03715408E-01
  2.06497378E-01  2.22442421E-01  2.28811694E-01  2.50106257E-01  3.31246846E-01
  6.24007330E-01  6.29961076E-01  6.83288698E-01  8.82200310E-01  9.16310787E-01
  1.01985081E+00  1.17699586E+00  1.18846160E+00  1.21132561E+00  1.47274275E+00
  1.49733629E+00  1.50747531E+00  1.71268630E+00  1.77003611E+00  2.04650232E+00
  2.05501147E+00  2.21823171E+00  2.44942308E+00  2.50822335E+00  2.86669120E+00
  4.01147914E+00  4.15789112E+00
Total SCF Density                          R   N=         903
  2.05420780E+00 -7.30397457E-02  3.58103011E-01  1.48164064E-02 -1.96166237E-02
  4.10009389E-01  4.15843244E-06 -6.92353687E-07  2.25235443E-05  4.55472160E-01
 -2.78233544E-03  1.21024015E-03 -7.69678110E-03  1.64070486E-04  2.57586994E-01
 -1.78481941E-01  3.14138379E-01 -5.99138375E-02  2.17969963E-05 -5.61955718E-03
  3.00388204E-01  1.34851600E-02 -2.87538519E-02  1.30583836E-01  4.05354135E-05
  2.70188930E-03 -2.96218254E-02  4.95922107E-02 -1.08416766E-05  2.82760502E-05
  1.36003564E-05  1.50876988E-01  1.02420085E-05  3.22262886E-05  3.51186516E-06
  5.28631332E-02  2.05333092E-03 -8.39454449E-03  1.35206168E-04  8.52925597E-06
  1.43063361E-01 -1.05077988E-02  4.20045764E-03 -1.95304423E-05  7.98082920E-02
 -1.17761660E-02  1.56108486E-02 -8.09467743E-03 -1.07609731E-05 -8.93568865E-04
  1.09529736E-02 -6.31127651E-03  2.80934119E-06 -1.27735754E-03  2.01078558E-03
 -1.87940676E-03  8.05280004E-04  1.46700995E-02  8.01036708E-06  1.24535073E-03
 -2.60632199E-03  3.33878115E-03  2.54932947E-06  6.67920659E-04  3.15415659E-04
  7.91821912E-04  8.65585115E-07  7.99323986E-07  1.19425599E-05  2.12221574E-02
  4.66400409E-06 -4.77964319E-07  8.87235193E-06  5.53749275E-03 -2.75243938E-06
 -2.80921527E-06  1.06179330E-06  1.76099824E-03 -3.82285246E-04 -8.25255140E-04
 -2.35187887E-04 -2.01518743E-06  2.08785462E-02 -1.59827817E-03  1.82473236E-04
 -4.73623271E-06  1.15977215E-02 -2.52801851E-05  1.54019228E-04 -7.22194286E-08
  1.70229951E-03 -1.82259517E-02  7.06741645E-04  2.69461546E-02  7.72141147E-06
 -1.94975039E-03 -3.65235383E-03  6.64982501E-03  5.54643380E-06 -1.05486567E-03
  3.70408439E-04  1.32257713E-03  2.91652660E-07 -7.61499485E-05  2.43064071E-03
 -1.95389938E-02  2.26745751E-03 -2.49996682E-02 -2.66293495E-05  1.48879701E-03
  6.53538592E-03 -7.39457024E-03 -1.13718041E-05  5.90811168E-04  3.34481494E-04
 -9.92991388E-04 -9.12066323E-07  7.55970744E-05 -1.64824719E-03  1.76367968E-03
 -1.03400610E-02 -1.76534179E-02 -5.75145420E-03  1.85798731E-05  2.51222834E-03
 -1.33711059E-02 -1.88401551E-04  4.16970270E-06  1.82358197E-03 -8.12944922E-04
 -3.49518023E-04  5.75159304E-07  2.29532266E-04 -4.97524674E-04  4.80392471E-04
  1.13405669E-03  1.43135012E-06 -4.57032462E-06 -2.96823736E-05 -2.40064909E-02
 -3.47032765E-05  6.00522260E-06 -1.57850216E-05 -4.73858866E-03 -1.13017241E-05
  4.16907574E-06 -2.96977476E-06 -2.78128348E-03 -2.68717718E-06 -1.37482106E-06
  1.19276771E-06 -1.91483954E-07  4.84566942E-03  2.38573704E-03 -5.25876421E-03
  9.97613591E-03 -3.40337464E-05  1.66353937E-02 -6.43732130E-03  3.64635691E-03
 -1.15648640E-05  9.45307746E-03 -4.02453286E-04  4.68961727E-04 -2.95540095E-06
  1.37621549E-03  5.70099733E-04 -5.84718444E-04  2.38556671E-04  2.44007292E-06
  1.41297838E-03 -8.62919121E-06  1.89107445E-05 -1.88590970E-05  1.29177374E-02
  3.57898002E-07  1.97192783E-05 -6.14990134E-06  4.27117492E-03 -2.79883787E-06
  8.18753480E-07 -4.41376500E-07  6.05962338E-04 -4.71771186E-07 -9.33448103E-07
  5.27485343E-07 -1.08084468E-07 -6.89630026E-04 -2.00188571E-06  3.66386004E-04
  7.21003848E-03 -5.62966767E-03 -3.91818766E-02  7.28763418E-06 -3.31446617E-03
  3.69350747E-02  1.29627641E-02 -1.22239498E-05  7.24111674E-04 -6.36859048E-03
 -4.26360476E-03  1.63250275E-06 -9.44207933E-04 -9.82458123E-03  4.57356833E-03
  2.52132356E-03  9.44388885E-06 -1.81033770E-03  2.24453942E-06  2.07832743E+00
 -1.38463458E-02  1.00347241E-02  9.94525579E-02 -1.09521829E-05  1.00586187E-02
 -8.52131093E-02 -2.65229064E-02  2.94239939E-05 -2.18325011E-04  2.30486561E-02
  1.49867461E-02 -5.11012929E-06  2.80464624E-03  2.21128728E-02 -1.16484910E-02
 -6.31087552E-03 -2.31198430E-05  4.54663573E-03 -5.66955784E-06 -1.89690351E-01
  5.36878652E-01  8.81176462E-02 -1.97968342E-01 -3.98629387E-01  1.28187958E-04
 -5.32063679E-02 -1.63279760E-01 -1.35506726E-01  6.83576288E-05 -3.08236497E-02
  7.55474842E-03 -1.14665496E-02 -2.15632067E-05 -3.44544832E-03 -2.19319121E-02
  2.07614667E-02  1.39148101E-02  5.56932918E-05 -1.01221349E-02  1.21172179E-05
 -4.15848147E-02  7.87345056E-02  6.04171596E-01 -8.31084369E-05  1.80443200E-04
  1.97040192E-04  4.40247488E-02 -2.43828859E-04  2.46380398E-04 -3.31705622E-05
  6.44954133E-02 -8.88502356E-05  5.96382612E-05 -1.11923948E-05 -2.37729434E-02
 -3.14741985E-05  3.25647042E-05 -4.39296555E-05 -8.12790835E-06  5.32869313E-02
  2.90114231E-05  1.11225646E-03  3.13000139E-05 -7.66811170E-05  1.95764465E-04
  8.67905218E-01  2.72701243E-02 -6.34638371E-02 -2.30773026E-02 -2.43951938E-04
  3.56435332E-01 -6.53858261E-02  3.18941824E-03 -1.03309869E-04  1.99387488E-01
 -3.54300308E-03  1.13222464E-03 -3.87370565E-05  2.90679693E-02 -3.84308592E-03
  2.37785096E-03  6.76781074E-03  2.71945772E-05  2.36234522E-02 -1.57572087E-05
 -5.24113758E-03  1.48826726E-02 -1.85449485E-02  3.29271358E-04  5.05947019E-01
  1.85490921E-02 -6.74036237E-02 -1.90601168E-02  3.31253006E-05 -4.38633055E-03
 -1.56106729E-01 -6.96816461E-02  4.66171799E-05 -8.61690601E-03  2.61672129E-02
  1.22785868E-02 -8.90149452E-06  2.07286956E-03  1.65582409E-02 -5.95708569E-03
 -1.55226551E-03 -1.40924592E-05  1.99082376E-03 -2.93405216E-06 -2.39757908E-01
  5.95301652E-01  2.82740139E-01 -1.35492765E-04  1.51995579E-02  7.25423756E-01
  3.47851677E-02 -7.84810377E-02 -1.70294059E-01  4.31126304E-05 -2.43277055E-02
 -6.56586852E-02 -5.92335538E-02  3.10850880E-05 -1.43130328E-02  3.89524498E-03
 -4.69770666E-03 -1.21317280E-05 -1.58544146E-03 -9.06291437E-03  8.80236640E-03
  5.56367477E-03  2.91788480E-05 -4.48706734E-03  5.15472136E-06 -1.95554332E-02
  4.20859681E-02  2.57748740E-01  1.62434935E-04 -1.11588683E-02  1.29366070E-01
  1.10208769E-01 -4.22687052E-05  9.04414010E-05  6.71134299E-05 -4.09276708E-04
 -1.74439959E-04  1.37823115E-04 -4.11790709E-05  3.14552592E-02 -6.23651712E-05
  3.89288000E-05 -9.53659301E-06 -1.63640002E-02 -2.05472871E-05  1.66170947E-05
 -2.30359966E-05 -4.42494445E-06  3.52171370E-02  1.87856804E-05 -9.78986993E-05
  1.89279348E-05 -5.22284241E-05  1.93475930E-04  5.46590480E-01  2.16605337E-04
 -6.70151925E-05  1.33038949E-04  3.45978997E-01  1.60328214E-02 -3.67397739E-02
 -4.35474771E-03 -1.71118198E-04  2.14590823E-01 -3.87627417E-02  5.04833037E-03
 -6.91454145E-05  1.20118900E-01 -2.32625268E-03  9.91991397E-04 -2.46490742E-05
  1.74975553E-02 -1.73001364E-03  8.80492679E-04  3.86390420E-03  1.80311916E-05
  1.44343194E-02 -1.05315896E-05 -3.00438082E-03  9.51757729E-03 -2.23408113E-02
  2.17847710E-04  3.03932615E-01  6.15134872E-03 -1.14900265E-02  1.42825186E-04
  1.82816825E-01  3.24550188E-02 -4.22279042E-02 -6.41920720E-02  2.26943393E-05
 -7.16287076E-03 -3.37135253E-02 -1.93642236E-02  5.14426492E-06 -3.71580899E-03
 -5.37601307E-05 -2.25010931E-03 -9.15222905E-07 -4.76826294E-04 -4.21240052E-03
  3.34883279E-03  2.79862904E-03  4.42637982E-06 -1.43543683E-03  1.47486349E-06
 -1.03460579E-02 -3.50120469E-03  9.80374611E-02 -4.86264433E-05  8.01265967E-04
  2.91602361E-02  4.13669026E-02 -1.92596843E-05 -1.32022155E-03  1.68698086E-02
 -8.62964963E-03  4.85289555E-03 -2.40527051E-02 -1.41809303E-05 -4.72402099E-03
  4.51025480E-03 -9.91029584E-03  1.74078118E-06 -3.19652516E-03  1.48575226E-03
 -4.97191697E-04 -3.80655863E-06 -3.50468074E-04 -9.56346496E-04  1.32946418E-03
  5.34394395E-06  7.41954660E-06 -9.26619504E-04  9.86702653E-07 -4.78903996E-03
  1.09855148E-02  2.83400707E-02  6.88044807E-05 -6.32503830E-03  2.03736546E-02
  1.24796920E-02  4.80072738E-05 -4.41105704E-03  3.85943839E-03  2.13438559E-03
 -3.74834080E-07  7.73471673E-06 -1.52711967E-05 -2.75821273E-02 -4.97269370E-05
  2.30290229E-05 -2.29960686E-05 -6.46241393E-04 -1.33112203E-05  1.11596650E-05
 -4.11919967E-06 -5.67807099E-03 -4.79468122E-06  1.84302444E-06 -2.80557103E-06
 -9.94190994E-07  1.09130393E-02  7.01334269E-06 -8.05453675E-04  5.72718207E-06
 -1.63016024E-05  8.70492818E-05  1.44247965E-01  8.71435577E-05 -8.84689544E-06
  5.11607846E-05  9.30110779E-02  5.64071778E-05  8.13549617E-07  1.54591606E-05
  2.66615862E-02  2.24248865E-03 -5.81135305E-03  4.08827778E-03 -4.09252450E-05
  2.86241912E-02 -6.29043586E-03  2.30952453E-03 -1.24220982E-05  1.61015584E-02
 -4.75376981E-04  2.76834748E-04 -5.47537720E-06  2.33670322E-03  4.55887082E-05
 -1.56590548E-04  4.94570774E-04  6.24611075E-06  2.05109172E-03 -2.18164147E-06
 -4.10767621E-04  1.45249064E-03 -7.46944229E-03  7.87088423E-05  4.05122196E-02
 -3.61230011E-04 -3.47754030E-03  5.09866585E-05  2.44766531E-02 -8.52260455E-04
 -9.01108311E-04  1.68616092E-05  3.33327439E-03 -7.84576364E-03  1.64624601E-02
  1.60896132E-02 -1.96133994E-05  4.84289260E-03  1.42754847E-02  5.15514012E-03
 -7.68319940E-06  2.54969682E-03 -4.90862684E-05  4.65580954E-04  3.72530229E-07
  3.29326004E-04  8.98916780E-04 -7.59687516E-04 -9.29348783E-04 -2.17064109E-06
  4.64114321E-04 -5.10533257E-07 -1.48494218E-02 -4.56981152E-03 -3.07586522E-02
 -1.18427737E-05  2.87770811E-03 -1.50440744E-02 -1.30367748E-02 -1.01755672E-05
  2.23443053E-03 -5.09685006E-03 -1.15353792E-03 -3.66863954E-06  4.66717489E-04
  1.88063654E-03  2.43501668E-03 -3.64164148E-03 -4.54872950E-03  1.03968634E-05
  5.02315449E-04 -1.47702745E-03 -2.72001956E-04  4.08675989E-06  4.31858395E-04
 -5.04712686E-04 -3.75927207E-04 -3.71939927E-07  1.34933183E-05 -5.83460497E-04
  3.45960846E-04  3.21350402E-04  1.84027653E-06 -5.48469259E-05  3.19775707E-07
 -1.24026869E-02 -9.79517099E-03  3.74237843E-03  2.62759789E-05  1.45236705E-03
 -8.87178462E-03  1.38123088E-03  1.67230282E-05  7.74950903E-04  1.06795736E-03
 -6.03639880E-05  4.35065599E-06  7.36549152E-05 -7.47593965E-05  3.63013493E-04
  2.12105027E-03 -2.87547978E-03 -2.80490693E-03  6.34210179E-06 -3.00063745E-03
 -1.99297229E-03 -6.03577550E-04  1.82868474E-06 -1.60383204E-03 -1.65354797E-04
 -1.81249849E-04  4.83680364E-07 -2.45482928E-04 -2.37480531E-04  1.53653683E-04
  1.64760356E-04 -1.92186624E-07 -2.30326402E-04  2.18406868E-07 -1.56585786E-02
 -2.72409803E-03  4.82648559E-03 -6.14690104E-06 -3.51434830E-03 -1.05940863E-03
  1.98970095E-03 -3.55683553E-06 -2.19702661E-03  9.92361016E-04  1.40465496E-04
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  1.31666138E-06 -5.53179343E-07  3.98300848E-07  3.55106875E-07 -8.23557218E-05
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  5.08634900E-03 -1.52210835E-03  1.43670371E-04 -3.21542225E-02 -5.78608895E-02
  2.00412680E-01 -9.19051041E-03  2.31773790E-02 -7.17962452E-02 -1.61040934E-01
  4.98034290E-02  1.53231083E-02 -2.15138670E-02 -4.81730584E-02  4.24514085E-02
  1.07395172E-03 -1.89041588E-03 -1.00952672E-02  1.81990103E-02 -3.65271833E-03
  4.81269958E-03 -5.14285536E-04  1.41008355E-02 -4.38195097E-03 -4.57100754E-03
  2.11025696E-03 -6.09174728E-03  5.94923961E-02  7.07968001E-02 -3.79492476E-02
  9.10288962E-03  2.78867750E-02  5.49573636E-02 -2.99478377E-02  4.26501185E-03
  6.80591503E-03  2.45391942E-02 -1.67296274E-02 -1.73165539E-03  5.33312866E-04
  2.15392334E-04  1.00052208E-03 -5.38099822E-04 -2.08767591E-04 -5.78409563E-02
 -6.52811963E-02  1.32514799E-01  1.14444206E-01
ETran NETS                                 I               20
ETran NETV                                 I               16
ETran scalars                              I   N=          20
           1          16           1          10           1           0
           0           0           0           0           0           0
           0           0           0           0           0           0
           0           0
ETran spin                                 I   N=           1
           0
ETran sym                                  I   N=           1
           0
ETran state values                         R   N=          16
 -1.14373674E+02 -9.46543040E-05  9.85594161E-02  3.66304209E-05  4.70625094E-06
 -9.20166892E-03 -1.59953744E-06 -1.16761262E+00  7.20065099E-04 -2.02137207E-02
  9.55596044E-06  6.02987672E-05 -8.47789837E-05  9.21918707E-03 -2.89522721E-05
 -4.27406781E-02
