%chk=000243380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243380

0 1
S 0.992744 -1.240211 -1.195743
O 0.327334 -0.710035 -2.360991
O 1.476027 -2.606350 -1.185306
O -3.596423 -1.239475 0.088599
N -0.101403 -1.054036 0.179904
N -1.357030 -1.592827 -0.145777
C 0.469234 -1.448711 1.510102
C 2.278670 -0.179957 -0.729248
C -2.494580 -0.730489 0.008478
C -1.576316 -3.048191 0.092756
C 3.567416 -0.694172 -0.547942
C 2.036370 1.187850 -0.568833
C -2.265656 0.745368 -0.075171
C -0.434245 -1.014284 2.632215
C 4.615643 0.160423 -0.198223
C 3.085157 2.043631 -0.216687
C 4.372930 1.529481 -0.033103
C -1.690499 1.312939 -1.218788
C -2.691214 1.555813 0.986374
C -1.531885 2.700098 -1.293131
C -2.522747 2.940658 0.906622
C -0.556529 -1.696039 3.767994
C -1.944203 3.512485 -0.232201
H 0.691436 -2.540514 1.565040
H 1.445703 -0.915047 1.625086
H -0.767236 -3.635085 -0.377133
H -2.532492 -3.337056 -0.387180
H -1.647407 -3.306974 1.160294
H 3.755616 -1.766564 -0.682123
H 1.028545 1.594820 -0.715100
H -0.971145 -0.079200 2.450425
H 5.620173 -0.237140 -0.058798
H 2.898140 3.109272 -0.089661
H 5.192001 2.197478 0.238140
H -1.364351 0.671321 -2.049700
H -3.164015 1.108699 1.860883
H -1.095277 3.145536 -2.185934
H -2.851463 3.575093 1.727786
H -1.187505 -1.371372 4.584454
H -0.046165 -2.624795 3.978911
H -1.822552 4.592759 -0.294791


%chk=000243380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243380

0 1
S 1.111593 -1.272487 -1.031322
O 0.264602 -0.857231 -2.374806
O 1.771311 -2.781528 -0.923993
O -3.778668 -1.065640 0.050920
N -0.286989 -0.896804 0.669988
N -1.509009 -1.436275 0.332939
C 0.451341 -1.666840 1.743000
C 2.550475 -0.059731 -0.781637
C -2.623996 -0.557161 0.086280
C -1.753683 -2.903162 0.291297
C 3.811281 -0.618530 -0.511422
C 2.313083 1.322218 -0.877944
C -2.395638 0.917113 -0.050337
C -0.271636 -1.510356 3.065325
C 4.899250 0.267258 -0.332286
C 3.413272 2.191207 -0.690381
C 4.699159 1.665243 -0.419568
C -1.525904 1.458413 -1.030079
C -3.203217 1.779817 0.734789
C -1.453751 2.858511 -1.200708
C -3.103773 3.178737 0.578759
C -0.577577 -2.544035 3.888254
C -2.228063 3.721718 -0.390663
H 0.616273 -2.732987 1.492089
H 1.443050 -1.178487 1.793548
H -0.918290 -3.389075 -0.241388
H -2.697152 -3.069367 -0.246689
H -1.850949 -3.316204 1.310431
H 3.927019 -1.706739 -0.462425
H 1.313175 1.713635 -1.086027
H -0.527811 -0.479536 3.346666
H 5.897174 -0.135152 -0.128945
H 3.263342 3.273988 -0.755462
H 5.545979 2.345613 -0.278487
H -0.950740 0.785634 -1.678223
H -3.906570 1.348007 1.454801
H -0.806370 3.275485 -1.981103
H -3.717875 3.841566 1.197969
H -1.068970 -2.377125 4.852859
H -0.330385 -3.581897 3.631530
H -2.163563 4.807388 -0.525048


