%chk=000231317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231317

0 1
S -3.707223 0.202589 -0.159498
O 4.342963 -1.777690 -0.984851
O 5.786351 0.015636 -1.008036
O 3.269863 0.659576 0.921837
O 5.704207 3.233904 0.378583
N 1.280313 -0.114094 -0.072047
N -0.588316 1.018940 -0.812163
N 0.113868 -1.899893 1.254339
N -2.320079 -1.679636 1.158024
C 3.508017 -0.627873 -1.101595
C 4.479130 0.584600 -1.158309
C 2.691165 -0.440168 0.210506
C 4.086318 1.484521 0.035030
C 5.692861 -1.381502 -0.593410
C 5.247958 1.985880 0.903978
C 6.664675 -2.169369 -1.440048
C 5.852410 -1.503825 0.905968
C 0.168645 -0.784926 0.459400
C 0.746350 0.989857 -0.822518
C -0.995234 -0.071094 -0.024398
C -2.250529 -0.582617 0.371043
C -1.147969 -2.287810 1.564489
C -5.039929 -0.792592 0.587059
C -6.291373 -0.119230 0.133666
C -6.915396 -0.518009 -1.059689
C -6.852724 0.916461 0.898425
C -8.089990 0.111732 -1.478814
C -8.027394 1.541909 0.473235
C -8.648320 1.141089 -0.714151
H 2.889775 -0.808374 -2.001574
H 4.516788 1.126120 -2.121997
H 2.748599 -1.316996 0.909099
H 3.450128 2.338408 -0.289374
H 6.078420 1.258903 0.957104
H 4.890133 2.236158 1.923996
H 6.321618 -2.226064 -2.484282
H 7.655295 -1.694528 -1.448950
H 6.778627 -3.199327 -1.079234
H 6.874493 -1.266180 1.225033
H 5.171372 -0.828741 1.447287
H 5.624517 -2.523891 1.245237
H 1.393708 1.696082 -1.323825
H 6.292480 3.080077 -0.392254
H -1.260649 -3.178248 2.205372
H -4.934279 -0.819712 1.690900
H -4.968475 -1.849426 0.258456
H -6.483021 -1.315631 -1.662076
H -6.371370 1.236494 1.821559
H -8.570488 -0.199930 -2.405019
H -8.458991 2.345192 1.068576
H -9.563096 1.630146 -1.043089


%chk=000231317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231317

0 1
S -3.717220 0.267851 -0.584124
O 4.562399 -1.751472 -1.093212
O 5.931813 0.142190 -0.809836
O 3.266424 0.468857 0.988735
O 6.126324 2.749492 0.226337
N 1.311730 -0.181981 -0.313177
N -0.495461 0.901002 -1.244260
N 0.107678 -1.776948 1.152917
N -2.326248 -1.529616 0.985519
C 3.659224 -0.603041 -1.148792
C 4.570089 0.664363 -1.036722
C 2.690323 -0.523892 0.073140
C 4.007405 1.465421 0.163940
C 5.869936 -1.325518 -0.521044
C 5.084247 2.131791 1.047242
C 6.975904 -2.013984 -1.313810
C 5.919824 -1.586705 0.989839
C 0.167276 -0.764811 0.248328
C 0.843310 0.813230 -1.195415
C -0.941291 -0.084454 -0.342688
C -2.229669 -0.516058 0.074452
C -1.178561 -2.101939 1.471675
C -5.065552 -0.743558 0.346242
C -6.409056 -0.101885 0.105062
C -7.232533 -0.528588 -0.968969
C -6.872344 0.940231 0.950263
C -8.493062 0.069181 -1.191453
C -8.132114 1.538924 0.730354
C -8.946558 1.104920 -0.341946
H 3.107969 -0.684972 -2.099107
H 4.612361 1.269402 -1.955898
H 2.632634 -1.478932 0.619865
H 3.295526 2.226848 -0.217582
H 5.496664 1.370242 1.737431
H 4.646237 2.949714 1.639590
H 6.873583 -1.776120 -2.384263
H 7.964124 -1.673967 -0.960671
H 6.910176 -3.106951 -1.180125
H 6.886684 -1.243757 1.398285
H 5.104686 -1.059189 1.512578
H 5.823965 -2.669652 1.179513
H 1.514161 1.439863 -1.779584
H 6.638294 2.007922 -0.196022
H -1.314569 -2.909291 2.196288
H -4.762473 -0.744114 1.403612
H -5.001423 -1.771690 -0.040217
H -6.883217 -1.330370 -1.630754
H -6.241157 1.281746 1.779458
H -9.119396 -0.271925 -2.023252
H -8.478378 2.340448 1.392312
H -9.924485 1.568644 -0.513057


