%chk=000297932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297932

0 1
S -3.052464 1.497680 -0.364631
O 3.085048 -1.240523 1.871448
O 1.687868 2.346550 -0.862517
O -2.153265 -0.883506 -1.064256
N 3.411073 0.448898 0.370591
N -0.252743 2.747284 0.261050
C 1.884277 -2.339916 -0.912142
C 3.299384 -1.871881 -0.453520
C 0.992554 -1.123392 -1.206866
C 1.248126 -3.201471 0.190097
C 2.050398 -3.177257 -2.194724
C 3.227778 -0.905271 0.704949
C 3.152962 1.491420 1.386771
C 1.652399 1.825927 1.507766
C 1.072573 2.302335 0.193633
C -0.971645 3.133598 -0.973173
C -1.774374 1.980261 -1.565124
C -2.932699 -0.308440 -0.356990
C -3.868167 -0.819773 0.570803
C -4.671119 -1.253121 1.364793
C -5.616552 -1.767937 2.302547
H 3.887995 -2.756362 -0.130918
H 3.851169 -1.447572 -1.312758
H 0.776635 -0.545514 -0.303329
H 0.017162 -1.434331 -1.609768
H 1.444315 -0.446120 -1.937951
H 1.275656 -2.691241 1.163581
H 1.776217 -4.150871 0.320530
H 0.202021 -3.430840 -0.034425
H 1.084530 -3.572762 -2.529245
H 2.714133 -4.032912 -2.038539
H 2.458670 -2.583652 -3.018231
H 3.263379 0.763047 -0.595930
H 3.727489 2.401190 1.101482
H 3.529712 1.139527 2.377331
H 1.510185 2.587074 2.301065
H 1.109013 0.920306 1.859919
H -0.830237 2.576072 1.079927
H -0.221603 3.483266 -1.731766
H -1.624196 4.006824 -0.742199
H -1.124105 1.106658 -1.803087
H -2.260255 2.273372 -2.515190
H -6.297736 -2.506027 1.835958
H -5.118017 -2.281636 3.147739
H -6.249043 -0.969062 2.734803


%chk=000297932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297932

0 1
S -3.544663 2.126274 -0.597550
O 3.341820 -1.460642 1.809064
O 1.382241 2.335180 -0.896041
O -1.832914 -0.023696 -0.300981
N 2.953450 0.344734 0.392546
N -0.497747 3.066856 0.250560
C 2.299200 -2.768520 -1.016498
C 3.497178 -1.831029 -0.624342
C 1.003203 -1.939822 -1.213808
C 2.074827 -3.846091 0.076255
C 2.672771 -3.463052 -2.354231
C 3.262158 -0.984262 0.628636
C 2.621541 1.280747 1.471327
C 1.123574 1.664393 1.469403
C 0.700306 2.376985 0.179882
C -1.133119 3.631478 -0.946521
C -2.055559 2.622343 -1.660709
C -2.949177 0.460497 0.015972
C -3.919594 -0.167561 0.865207
C -4.740643 -0.735665 1.596062
C -5.715244 -1.410225 2.456976
H 4.384001 -2.463567 -0.431451
H 3.729249 -1.176530 -1.488037
H 0.651772 -1.490078 -0.268721
H 0.188395 -2.583586 -1.594499
H 1.152918 -1.119182 -1.942012
H 1.893782 -3.383257 1.061054
H 2.962519 -4.499043 0.175594
H 1.207348 -4.481166 -0.186694
H 1.881680 -4.176321 -2.653355
H 3.620192 -4.027450 -2.259779
H 2.792160 -2.725507 -3.171042
H 2.794132 0.693709 -0.557414
H 3.240374 2.192366 1.373201
H 2.877019 0.777117 2.419514
H 0.899246 2.300402 2.348456
H 0.515593 0.742963 1.565622
H -1.042120 3.026065 1.114176
H -0.322944 3.911144 -1.644336
H -1.688979 4.544673 -0.669411
H -1.510480 1.689302 -1.884899
H -2.475704 3.048130 -2.586547
H -5.957989 -2.412789 2.059850
H -5.308549 -1.545138 3.476069
H -6.652725 -0.831282 2.532956


