%chk=000217025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217025

0 1
S 3.403101 0.037857 -0.747139
O 3.688097 -1.335536 -1.130552
O 3.692306 1.122852 -1.668121
N -2.127602 0.123933 1.230764
N -4.714411 0.046140 -0.093384
N -0.261437 -1.049475 0.347963
N 4.342449 0.425105 0.648988
C -2.931218 -1.133124 1.169965
C -3.007182 1.326251 1.167468
C -3.824198 -1.162723 -0.086225
C -3.892633 1.302045 -0.096007
C -0.855554 0.169136 0.663315
C -5.621402 0.017329 -1.278519
C -0.135308 1.392722 0.519408
C 1.786643 0.118949 -0.205767
C 1.181345 1.350285 0.091411
C 1.018909 -1.052589 -0.064657
C 4.733880 -0.718582 1.505623
H -3.556110 -1.167062 2.092183
H -2.264300 -2.025582 1.190854
H -2.406613 2.260390 1.205560
H -3.647566 1.313430 2.082118
H -3.193212 -1.252303 -0.997086
H -4.472369 -2.065500 -0.052071
H -4.589820 2.167929 -0.071500
H -3.264842 1.415846 -1.005746
H -5.114787 0.023948 -2.254943
H -6.300689 0.884189 -1.233109
H -6.253085 -0.884770 -1.222711
H -0.611585 2.340427 0.755443
H 1.749026 2.280818 -0.022840
H 1.446306 -2.043276 -0.307029
H 5.125842 1.074295 0.501674
H 5.255070 -1.524644 0.956701
H 3.835231 -1.154190 1.977295
H 5.391718 -0.375819 2.321073


%chk=000217025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217025

0 1
S 3.728408 0.047485 -0.655059
O 4.029204 -1.494876 -1.111877
O 4.123611 1.317310 -1.600099
N -2.114777 0.151952 0.726577
N -4.901219 0.021774 0.007733
N -0.143332 -1.012854 0.210611
N 4.586826 0.442379 0.977562
C -2.849477 -1.131934 0.806660
C -2.991292 1.323791 0.911148
C -4.009524 -1.145075 -0.207112
C -4.149185 1.291293 -0.111060
C -0.766394 0.204778 0.422567
C -6.095835 -0.010047 -0.858196
C -0.030521 1.441120 0.328056
C 1.936335 0.141651 -0.183984
C 1.333382 1.401884 0.018087
C 1.177378 -1.037591 -0.089890
C 4.834683 -0.771687 1.799082
H -3.262182 -1.240746 1.829271
H -2.137484 -1.945958 0.608038
H -2.429690 2.262878 0.803106
H -3.420265 1.292164 1.932569
H -3.587979 -1.159536 -1.244670
H -4.599464 -2.069895 -0.068030
H -4.837024 2.132586 0.095632
H -3.728755 1.435355 -1.140409
H -5.854094 0.045508 -1.949206
H -6.758473 0.838282 -0.609912
H -6.656923 -0.944526 -0.679674
H -0.509293 2.408348 0.492165
H 1.918576 2.321685 -0.076403
H 1.633636 -2.016501 -0.272044
H 5.463548 0.907713 0.667560
H 5.385452 -1.576062 1.272744
H 3.871325 -1.173528 2.155836
H 5.414815 -0.450420 2.683019


