%chk=000222305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222305

0 1
S -4.346969 0.043348 -0.073550
O -4.615095 -1.544207 0.449075
O -4.929957 0.854071 0.962792
O -4.843439 0.097577 -1.420141
N 1.597029 -0.007427 0.113801
N 3.667219 -1.244067 -0.184794
N 3.758872 1.167878 0.223699
N 1.631230 -2.384220 -0.386495
N 1.657789 2.300838 0.597934
N 5.718099 -0.063598 -0.231986
C 0.146893 0.035731 0.056833
C -2.633779 0.057821 -0.029496
C -0.574442 0.456864 1.185989
C -0.511653 -0.361591 -1.120946
C -1.968304 0.472387 1.131176
C -1.905275 -0.342928 -1.156481
C 2.321432 -1.198043 -0.140257
C 2.359854 1.252930 0.330175
C 4.353577 -0.011273 -0.051276
H -0.047952 0.810617 2.076507
H 0.057665 -0.653357 -2.005090
H -2.540019 0.814897 2.003430
H -2.427828 -0.636498 -2.075991
H 0.689628 -2.504111 -0.039106
H 2.188022 -3.234478 -0.436066
H -5.506120 -1.751023 0.759923
H 2.131773 3.189873 0.745536
H 6.278133 0.751453 -0.028896
H 6.181517 -0.955365 -0.312799


%chk=000222305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222305

0 1
S -4.442297 0.060066 -0.041903
O -4.632421 -1.706509 0.517895
O -5.031777 1.025449 1.113768
O -4.971437 0.173711 -1.566235
N 1.637243 -0.004853 0.066440
N 3.688201 -1.244391 -0.158803
N 3.763941 1.182611 0.173482
N 1.655757 -2.374603 -0.189728
N 1.648238 2.317621 0.493674
N 5.704386 -0.075904 -0.148913
C 0.193893 0.024887 0.044956
C -2.572838 0.049016 -0.005625
C -0.522138 0.399845 1.207509
C -0.488839 -0.305993 -1.151989
C -1.931003 0.408674 1.191517
C -1.899805 -0.303037 -1.184886
C 2.349451 -1.194390 -0.098127
C 2.376582 1.255231 0.264242
C 4.338991 -0.014670 -0.041195
H 0.026555 0.700314 2.102549
H 0.081240 -0.544777 -2.055180
H -2.511254 0.701767 2.071509
H -2.454858 -0.540873 -2.097407
H 0.643854 -2.423280 -0.102750
H 2.209755 -3.221938 -0.291625
H -5.613198 -1.892512 0.598409
H 2.245663 3.156574 0.601104
H 6.244147 0.781926 -0.069346
H 6.151870 -0.975865 -0.299841


