%chk=000295564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295564

0 1
S -0.664937 1.680943 0.189571
O -0.363146 3.025014 -0.259000
O 0.018820 1.138116 1.344354
N -0.308629 0.674047 -1.185429
N -1.576764 -6.018144 -1.175750
C 2.753287 1.390091 -0.994338
C 2.004921 0.804297 -2.197581
C 4.249379 1.052935 -1.048212
C 0.538953 1.258488 -2.266931
C 4.990562 1.620508 0.170057
C 6.487135 1.285801 0.122951
C 7.227651 1.853020 1.342381
C -0.493066 -0.732757 -1.174880
C -2.359758 1.482460 0.377651
C 8.718332 1.523478 1.302676
C -0.681523 -1.425164 -2.396020
C -0.542315 -1.450561 0.041374
C -2.867399 0.669727 1.400299
C -3.242921 2.151173 -0.478876
C -0.954728 -2.787044 -2.393370
C -0.819529 -2.813126 0.036618
C -4.242576 0.514067 1.557330
C -4.620902 1.999897 -0.327858
C -5.132002 1.176789 0.690713
C -1.037767 -3.489902 -1.176833
C -6.602229 1.001087 0.862143
C -1.333617 -4.886843 -1.176152
H 2.317262 1.002259 -0.050014
H 2.614521 2.489122 -0.956232
H 2.061205 -0.302446 -2.169898
H 2.511245 1.105886 -3.136620
H 4.695136 1.452997 -1.978873
H 4.387101 -0.044742 -1.092598
H 0.103889 0.978033 -3.253645
H 0.477177 2.374107 -2.203320
H 4.543100 1.220802 1.101357
H 4.849964 2.717697 0.218930
H 6.935217 1.685571 -0.806697
H 6.627569 0.188814 0.076842
H 7.088403 2.950811 1.389882
H 6.780734 1.452029 2.273291
H 8.891928 0.441467 1.294090
H 9.199924 1.939589 0.410677
H 9.237199 1.932067 2.176893
H -0.624552 -0.886325 -3.340833
H -0.309758 -0.960512 0.994267
H -2.180726 0.158263 2.085740
H -2.854594 2.803866 -1.268212
H -1.109302 -3.315418 -3.336121
H -0.856494 -3.363585 0.979124
H -4.630714 -0.120745 2.352453
H -5.299993 2.522916 -0.999107
H -6.929766 1.308213 1.867550
H -7.194345 1.582679 0.142362
H -6.896163 -0.053310 0.739922


%chk=000295564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295564

0 1
S -0.732625 1.914924 0.123310
O -0.571649 3.416259 -0.478048
O 0.052316 1.511339 1.494492
N -0.286600 0.816235 -1.343925
N -1.155252 -6.026656 -1.036718
C 2.751078 1.518696 -1.122205
C 2.002495 1.102670 -2.407001
C 4.244523 1.123239 -1.144220
C 0.505614 1.488945 -2.398238
C 4.998165 1.539396 0.138915
C 6.488152 1.129839 0.134526
C 7.239418 1.546008 1.419718
C -0.411699 -0.584645 -1.234826
C -2.558308 1.520165 0.371704
C 8.726863 1.131543 1.411088
C -0.394860 -1.372375 -2.429600
C -0.585621 -1.253228 0.014444
C -2.951731 0.989838 1.610241
C -3.455761 1.843625 -0.656610
C -0.580809 -2.761181 -2.375393
C -0.778692 -2.643234 0.059181
C -4.327658 0.751351 1.810885
C -4.827182 1.590959 -0.430004
C -5.281627 1.041789 0.798319
C -0.787085 -3.420739 -1.131203
C -6.755277 0.768464 1.033028
C -0.985910 -4.842086 -1.079468
H 2.266478 1.054559 -0.238990
H 2.660589 2.615559 -0.982016
H 2.111118 0.011601 -2.567429
H 2.465413 1.598504 -3.285046
H 4.737937 1.585311 -2.025363
H 4.330390 0.024465 -1.279645
H 0.030542 1.272482 -3.375915
H 0.394722 2.577374 -2.229862
H 4.495471 1.088122 1.019365
H 4.920310 2.639026 0.269225
H 6.992871 1.581665 -0.745446
H 6.566540 0.029645 0.006012
H 7.161215 2.645112 1.547190
H 6.733435 1.095548 2.297916
H 8.831700 0.034124 1.314675
H 9.262424 1.594332 0.560371
H 9.239731 1.439607 2.340925
H -0.251449 -0.890926 -3.400580
H -0.511001 -0.694787 0.951282
H -2.208865 0.784759 2.387651
H -3.106286 2.277432 -1.598595
H -0.573288 -3.345914 -3.300971
H -0.903618 -3.139740 1.026767
H -4.664413 0.336190 2.767706
H -5.551512 1.827807 -1.217039
H -7.116599 1.281518 1.943186
H -7.373599 1.106687 0.185008
H -6.940135 -0.312703 1.175322


