%chk=000223292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223292

0 1
S 2.219554 1.820721 1.134908
Si -5.407450 -0.685148 0.113515
O -2.248526 -1.444648 0.258358
O 2.024955 2.879535 0.182735
O 2.795176 2.117727 2.433781
O -0.007726 0.481865 -0.422319
N -3.900551 0.170653 0.603005
N -1.635509 0.573935 1.236123
N 0.625293 1.261911 1.631402
C -6.795989 0.397866 0.718141
C -5.424110 -2.354586 0.916427
C -5.460133 -0.853276 -1.731565
C -2.602283 -0.348687 0.629396
C 2.991665 0.468823 0.441082
C 2.708043 0.074768 -0.874347
C 3.936471 -0.248310 1.191312
C -0.317730 0.736520 0.724911
C 4.307637 -1.740632 -0.683870
C 3.362924 -1.021632 -1.434856
C 4.591993 -1.343759 0.636963
C 4.993757 -2.920198 -1.285042
H -7.751384 -0.101200 0.475378
H -6.768580 0.547664 1.806665
H -6.807088 1.384212 0.233531
H -5.520362 -2.300309 2.009915
H -6.248636 -2.974265 0.531036
H -4.473924 -2.876910 0.688465
H -4.589312 -1.438038 -2.079752
H -6.371506 -1.380723 -2.054557
H -5.430169 0.119533 -2.243979
H -3.999530 1.167073 0.837805
H -1.903148 1.060073 2.091883
H 0.373789 1.366050 2.622785
H 1.957999 0.621621 -1.465274
H 4.164085 0.059208 2.219661
H 3.129616 -1.324655 -2.454631
H 5.322793 -1.894300 1.225841
H 5.818571 -3.300764 -0.667917
H 4.287350 -3.753901 -1.427214
H 5.413577 -2.686918 -2.275000


%chk=000223292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223292

0 1
S 2.164760 1.792541 1.098341
Si -5.559136 -0.673152 0.209553
O -2.554313 -1.160854 -0.277519
O 2.043678 2.975738 0.007640
O 2.704441 2.073960 2.606728
O -0.087120 0.519060 -0.699078
N -4.085482 0.293765 0.716131
N -1.767548 0.695035 0.970110
N 0.462200 1.156028 1.480914
C -7.000999 0.352419 0.925303
C -5.444676 -2.398536 1.001080
C -5.620936 -0.760433 -1.688802
C -2.798594 -0.129134 0.402088
C 3.102635 0.326049 0.379186
C 2.954073 0.024837 -0.983899
C 3.949923 -0.369871 1.254417
C -0.437009 0.759250 0.480363
C 4.581469 -1.803947 -0.651130
C 3.710127 -1.053859 -1.487780
C 4.692310 -1.445862 0.717830
C 5.368528 -2.970962 -1.217244
H -7.969235 -0.125918 0.689573
H -6.931737 0.437042 2.025445
H -7.024761 1.372019 0.497740
H -5.447609 -2.333962 2.103954
H -6.297240 -3.030837 0.691153
H -4.511460 -2.893274 0.681017
H -4.691273 -1.219914 -2.066645
H -6.478508 -1.368873 -2.031271
H -5.715020 0.247193 -2.132049
H -4.199682 1.223593 1.130663
H -2.005910 1.278833 1.774915
H 0.260678 1.178261 2.486688
H 2.264896 0.593098 -1.613176
H 4.037991 -0.069142 2.303232
H 3.614088 -1.320928 -2.546209
H 5.366964 -2.008835 1.372276
H 6.103362 -3.358471 -0.491767
H 4.694449 -3.804554 -1.491178
H 5.913282 -2.680505 -2.133891


