%chk=000281726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281726

0 1
S 3.770022 0.442037 -0.207673
O 0.493204 -1.626652 1.138356
O -0.687761 -3.757176 0.126396
O 4.514516 1.001850 -1.325367
O 4.237977 0.702670 1.146147
N -2.597151 2.878986 0.647822
C -0.223714 1.086409 0.540737
C -0.351447 2.338619 -0.375899
C -1.853812 2.601410 -0.627296
C -0.889614 1.422811 1.896064
C -0.931066 -0.119824 -0.065528
C -2.509661 1.411513 -1.356837
C -2.359766 1.838109 1.692297
C -2.019900 0.050451 -0.949149
C 1.253089 0.757309 0.700253
C 0.487124 2.208042 -1.617222
C 2.107205 0.944938 -0.317202
C 1.667712 1.568500 -1.565539
C -0.561334 -1.430347 0.270873
C -2.302799 4.250090 1.161369
C -2.685093 -1.065237 -1.480558
C -1.238587 -2.548333 -0.277731
C -2.302962 -2.370358 -1.154826
C 3.642859 -1.308590 -0.440311
C 4.955388 -1.972625 -0.063013
C -1.569106 -4.906695 0.098768
H 0.068037 3.219392 0.186043
H -1.966430 3.506979 -1.279672
H -0.326613 2.227327 2.403408
H -0.840540 0.546066 2.569834
H -2.343842 1.534304 -2.448926
H -3.612462 1.470239 -1.209826
H -2.959974 0.948705 1.389110
H -2.789203 2.186127 2.654969
H 1.547500 0.319496 1.659328
H 0.116577 2.688457 -2.516458
H 2.339166 1.504570 -2.425064
H -2.954919 4.452310 2.026825
H -2.559533 4.991870 0.388437
H -1.260412 4.416272 1.470911
H -3.520631 -0.918181 -2.164234
H -2.826909 -3.219578 -1.584713
H 2.810124 -1.737284 0.157185
H 3.381763 -1.556222 -1.489129
H 0.565379 -2.596816 1.380864
H 4.885347 -3.065000 -0.139917
H 5.779211 -1.655755 -0.719596
H 5.250723 -1.736815 0.971901
H -2.485840 -4.704396 0.659275
H -0.959171 -5.672610 0.594406
H -1.779773 -5.185263 -0.938093


%chk=000281726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281726

0 1
S 3.889121 0.469263 -0.105189
O 0.300084 -1.692487 1.362292
O -0.966631 -3.794434 0.445301
O 4.757365 1.180873 -1.302727
O 4.313004 0.633062 1.471184
N -2.599365 2.925219 0.634065
C -0.249053 1.089287 0.565477
C -0.368721 2.326091 -0.381979
C -1.877602 2.615212 -0.635175
C -0.927292 1.477106 1.921619
C -0.994970 -0.133288 -0.025122
C -2.509740 1.433113 -1.403579
C -2.410997 1.881592 1.681208
C -2.074959 0.045126 -0.940611
C 1.242665 0.786124 0.747207
C 0.471760 2.195853 -1.640793
C 2.069148 0.976021 -0.312107
C 1.677285 1.553846 -1.595465
C -0.700650 -1.448193 0.402711
C -2.360268 4.302405 1.118068
C -2.779035 -1.078728 -1.431102
C -1.415356 -2.568207 -0.101713
C -2.456246 -2.393835 -1.029022
C 3.868513 -1.445988 -0.469083
C 5.277475 -1.987252 -0.251418
C -1.649474 -5.016394 0.019612
H 0.048738 3.191980 0.184773
H -1.968756 3.516738 -1.272908
H -0.364001 2.315754 2.376345
H -0.877009 0.623557 2.624045
H -2.252926 1.541145 -2.476834
H -3.609283 1.527114 -1.330661
H -2.985441 0.984725 1.385379
H -2.857777 2.254759 2.620510
H 1.603808 0.376014 1.695339
H 0.140009 2.703554 -2.556213
H 2.369217 1.516840 -2.442810
H -3.009092 4.495687 1.990961
H -2.637759 5.021933 0.326466
H -1.308482 4.525186 1.424512
H -3.604615 -0.922133 -2.135051
H -3.017183 -3.246013 -1.423845
H 3.113658 -1.830665 0.235586
H 3.511216 -1.510630 -1.509374
H 0.304318 -2.672153 1.544815
H 5.288243 -3.078055 -0.432607
H 5.995660 -1.514442 -0.943396
H 5.611964 -1.803218 0.784150
H -2.723023 -4.982361 0.286383
H -1.155213 -5.834651 0.563377
H -1.539430 -5.169951 -1.070804


