%chk=000229603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229603

0 1
S -1.858321 -0.257992 -0.006636
O -5.844078 0.077060 0.015541
O -1.959263 -0.965352 -1.268652
O -1.948628 -1.001178 1.235451
N -3.097527 0.962478 0.016078
C -0.404784 0.729157 0.001320
C 0.837792 -0.163541 -0.016769
C 2.126861 0.671124 -0.010222
C -3.947361 1.029923 -1.206211
C -3.936652 0.995145 1.247163
C 3.369481 -0.229331 -0.028196
C 4.661140 0.599248 -0.021920
C -5.064253 -0.028005 -1.193505
C -5.053695 -0.062178 1.214246
C 5.903248 -0.301606 -0.039681
C 7.197223 0.524571 -0.033971
C 8.436361 -0.367641 -0.051138
H -0.382442 1.425987 -0.863033
H -0.374995 1.400936 0.885064
H 0.824924 -0.818489 -0.914966
H 0.832442 -0.844054 0.862295
H 2.149942 1.325508 0.882610
H 2.142610 1.350669 -0.884219
H -4.393418 2.050633 -1.247411
H -3.315854 0.911663 -2.115070
H -3.297250 0.851324 2.146767
H -4.382255 2.014208 1.321143
H 3.348313 -0.885312 -0.920422
H 3.355749 -0.910286 0.845267
H 4.677563 1.278834 -0.895787
H 4.684877 1.254066 0.870493
H -4.666278 -1.055738 -1.284907
H -5.822023 0.150096 -1.976711
H -5.804557 0.093479 2.008800
H -4.655025 -1.092031 1.272930
H 5.882043 -0.957983 -0.930934
H 5.889694 -0.982188 0.833382
H 7.221597 1.180052 0.858530
H 7.214214 1.203801 -0.908710
H 8.463505 -1.004280 -0.942858
H 9.354849 0.229862 -0.046994
H 8.470934 -1.027943 0.822942


%chk=000229603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229603

0 1
S -1.953247 -0.306286 -0.015741
O -6.051980 0.135043 0.025220
O -2.026317 -1.085188 -1.454504
O -2.002752 -1.139149 1.393495
N -3.279903 1.119084 0.023709
C -0.341983 0.755441 -0.008795
C 0.882857 -0.158275 -0.024348
C 2.190385 0.675252 -0.022263
C -4.117337 1.071024 -1.219756
C -4.097607 1.019240 1.277166
C 3.451549 -0.219025 -0.030049
C 4.766074 0.593536 -0.030269
C -5.228231 0.001630 -1.189664
C -5.208914 -0.048390 1.220227
C 6.030580 -0.294923 -0.034258
C 7.346332 0.516870 -0.035249
C 8.604869 -0.377522 -0.037917
H -0.451367 1.382568 -0.907993
H -0.444398 1.360522 0.906166
H 0.854210 -0.803897 -0.922954
H 0.862684 -0.821954 0.861184
H 2.212672 1.332534 0.871226
H 2.208687 1.343038 -0.907974
H -4.565974 2.080624 -1.298557
H -3.456226 0.910113 -2.089279
H -3.422813 0.822115 2.128507
H -4.544390 2.024602 1.405103
H 3.427423 -0.879798 -0.920954
H 3.432548 -0.887475 0.855231
H 4.785437 1.261240 -0.917050
H 4.788255 1.257032 0.859618
H -4.778024 -1.012072 -1.241396
H -5.923631 0.134769 -2.034853
H -5.890785 0.048937 2.081192
H -4.758239 -1.063238 1.222573
H 6.010976 -0.959427 -0.923313
H 6.014227 -0.962511 0.852545
H 7.364573 1.181344 0.852841
H 7.362100 1.183226 -0.921967
H 8.625098 -1.030016 -0.931270
H 9.531476 0.225516 -0.038842
H 8.627808 -1.031460 0.854311


