%chk=000223605.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223605

0 1
S 0.716060 0.958007 0.884972
O 0.269943 0.103751 1.964063
O 0.550981 2.397517 0.998712
N -0.087111 0.526275 -0.585012
C -1.109316 1.480739 -1.100382
C -0.262097 -0.853517 -0.958265
C 2.363913 0.586229 0.518152
C -2.413805 1.409548 -0.339877
C -0.136433 -1.190731 -2.320991
C -0.508610 -1.856470 -0.004574
C 3.204707 1.584846 0.016636
C 2.854675 -0.705788 0.731964
C -3.405386 0.495884 -0.723076
C -2.633791 2.263022 0.750786
C -0.247002 -2.524763 -2.714041
C -0.609636 -3.186808 -0.415853
C 4.539190 1.289936 -0.277781
C 4.188770 -1.002177 0.437229
C -4.615639 0.446108 -0.025419
C -3.845231 2.209933 1.444729
C -0.479836 -3.526745 -1.765854
C 5.028959 -0.004076 -0.068650
C -4.838195 1.304284 1.056288
H -1.278383 1.281606 -2.183616
H -0.676515 2.511570 -1.040438
H 0.057818 -0.415265 -3.058929
H -0.641197 -1.603920 1.055407
H 2.822261 2.600165 -0.137491
H 2.199534 -1.485606 1.136010
H -3.230425 -0.181628 -1.557277
H -1.849675 2.959079 1.065385
H -0.147939 -2.786352 -3.766937
H -0.800933 -3.963154 0.325048
H 5.195496 2.066686 -0.667080
H 4.572164 -2.007929 0.602627
H -5.384076 -0.264539 -0.323221
H -4.012315 2.871699 2.293015
H -0.563491 -4.564801 -2.078403
H 6.069820 -0.235101 -0.298965
H -5.780652 1.264187 1.598508


%chk=000223605-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223605

0 1
S 0.852627 1.052907 0.858007
O 0.415141 0.054775 2.077019
O 0.752881 2.674414 1.043819
N -0.065482 0.695013 -0.836083
C -1.191106 1.679725 -1.012636
C -0.309467 -0.718500 -1.012829
C 2.618358 0.603801 0.374945
C -2.509127 1.422636 -0.292889
C 0.389793 -1.344945 -2.078858
C -1.167399 -1.490117 -0.180261
C 3.371248 1.551783 -0.336538
C 3.108254 -0.645361 0.785369
C -3.585960 0.786516 -0.960729
C -2.681999 1.833471 1.054908
C 0.203163 -2.719212 -2.340730
C -1.335146 -2.867552 -0.439861
C 4.704108 1.212546 -0.664189
C 4.443515 -0.966223 0.444485
C -4.810832 0.552959 -0.295374
C -3.904096 1.598265 1.722830
C -0.660667 -3.483217 -1.520427
C 5.234235 -0.042610 -0.278502
C -4.971529 0.956704 1.050465
H -1.347512 1.700053 -2.108405
H -0.770508 2.657593 -0.714203
H 1.062598 -0.733677 -2.689041
H -1.676952 -1.021799 0.665345
H 2.938436 2.520852 -0.603725
H 2.474182 -1.325830 1.362663
H -3.462654 0.469503 -2.003926
H -1.858923 2.338666 1.574938
H 0.734823 -3.193138 -3.173224
H -1.991579 -3.461168 0.205827
H 5.325179 1.927218 -1.214174
H 4.861484 -1.931979 0.746774
H -5.635072 0.060508 -0.823714
H -4.025112 1.918515 2.763668
H -0.800411 -4.552205 -1.717102
H 6.268357 -0.296873 -0.535410
H -5.920247 0.777685 1.569170


