%chk=000249944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249944

0 1
S 0.833407 0.860616 0.796856
O -0.000360 0.058011 1.678425
O 1.301887 2.152554 1.264359
N -0.003492 1.168873 -0.679774
C -0.826164 2.406768 -0.708368
C -0.550296 0.000485 -1.415385
C -2.081187 2.372780 0.180060
C -1.675142 -0.764688 -0.698830
C -2.881419 3.672872 0.047328
C -2.134330 -1.971122 -1.522617
C 2.171048 -0.103932 0.280774
C -4.137323 3.648591 0.930446
C -3.250089 -2.743868 -0.804129
C 2.197777 -1.472579 0.571366
C 3.239402 0.484660 -0.403226
C -4.941404 4.940479 0.803432
C -3.712907 -3.952513 -1.614257
C 3.279405 -2.254831 0.168558
C 4.325332 -0.291746 -0.809971
C 4.351838 -1.668384 -0.527360
C 5.518818 -2.498539 -0.945594
H -0.162797 3.251265 -0.394380
H -1.112403 2.610430 -1.764415
H -0.913621 0.355758 -2.407561
H 0.300809 -0.685863 -1.634419
H -2.715937 1.500039 -0.091211
H -1.799241 2.209845 1.240647
H -1.344373 -1.089658 0.312963
H -2.530783 -0.079257 -0.506097
H -2.246250 4.536428 0.327891
H -3.169438 3.838390 -1.008362
H -2.490450 -1.640886 -2.517500
H -1.279279 -2.647218 -1.716357
H -3.848117 3.490503 1.988677
H -4.772949 2.783251 0.659530
H -4.108868 -2.071723 -0.610024
H -2.896620 -3.073359 0.193205
H 1.367544 -1.930160 1.123968
H 3.230355 1.558802 -0.617186
H -5.833484 4.914703 1.439279
H -5.276189 5.109582 -0.225980
H -4.350896 5.813696 1.104118
H -4.509030 -4.495788 -1.092484
H -2.894409 -4.659808 -1.788801
H -4.105873 -3.656728 -2.593468
H 3.295693 -3.317974 0.399677
H 5.154281 0.172250 -1.340583
H 6.000364 -2.120031 -1.857938
H 5.245188 -3.545184 -1.138032
H 6.288772 -2.508291 -0.157349


%chk=000249944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249944

0 1
S 0.682410 0.725517 0.824392
O -0.104471 -0.311470 1.821648
O 1.077275 2.220905 1.340496
N -0.179070 0.999647 -0.807172
C -0.995943 2.246106 -0.808185
C -0.699461 -0.254474 -1.411768
C -2.147047 2.384740 0.219941
C -2.020022 -0.873472 -0.885391
C -2.844104 3.758830 0.093569
C -2.274059 -2.253601 -1.533356
C 2.243857 -0.169210 0.256123
C -3.972622 3.957514 1.131293
C -3.608669 -2.895708 -1.089149
C 2.382386 -1.523659 0.591026
C 3.233622 0.565638 -0.417887
C -4.666083 5.331490 1.008618
C -3.849847 -4.281429 -1.725591
C 3.576385 -2.178611 0.209017
C 4.415282 -0.110091 -0.787717
C 4.603031 -1.487268 -0.483887
C 5.887835 -2.190962 -0.881686
H -0.294168 3.087242 -0.660773
H -1.390591 2.321589 -1.842320
H -0.796307 -0.032925 -2.494952
H 0.108696 -1.009028 -1.328245
H -2.890313 1.576356 0.093668
H -1.727999 2.284115 1.239949
H -1.961841 -0.977747 0.214314
H -2.872048 -0.203997 -1.113319
H -2.090697 4.564403 0.217826
H -3.263987 3.876307 -0.928391
H -2.268550 -2.157122 -2.640427
H -1.438912 -2.938993 -1.275912
H -3.550354 3.843157 2.149750
H -4.723908 3.149969 1.014004
H -4.445313 -2.216414 -1.351552
H -3.616808 -2.986372 0.015686
H 1.590439 -2.033376 1.150092
H 3.088171 1.628271 -0.634877
H -5.468958 5.448077 1.759663
H -5.118828 5.460549 0.007022
H -3.942213 6.154788 1.157761
H -4.809032 -4.717993 -1.391809
H -3.043970 -4.988675 -1.452497
H -3.875551 -4.212666 -2.829739
H 3.711257 -3.237097 0.458693
H 5.204765 0.438111 -1.315252
H 6.078146 -2.095772 -1.966691
H 5.855972 -3.265731 -0.636003
H 6.759015 -1.751958 -0.360100


