%chk=000212626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212626

0 1
S 0.409415 -1.456292 -1.158097
O -0.063662 0.392270 0.657258
O -3.595114 0.119430 0.653831
O -4.006602 -0.911825 -1.362322
N -5.518727 0.587821 -0.421712
C 0.913428 -0.637442 0.425319
C -1.282627 0.282256 -0.106766
C -0.985288 -0.338031 -1.462767
C 2.251966 0.024622 0.228648
C 0.871762 -1.638252 1.558408
C -2.290597 -0.522342 0.735303
C 3.367879 -0.748520 -0.128373
C 2.390942 1.408737 0.402119
C 4.610687 -0.136469 -0.308275
C 3.636958 2.015694 0.221806
C 4.747835 1.244879 -0.132935
C -4.353828 -0.161163 -0.474095
H -1.607311 1.349481 -0.177603
H -1.849841 -0.908953 -1.873157
H -0.709620 0.417646 -2.220882
H -0.096274 -2.149980 1.628678
H 1.642947 -2.413268 1.457005
H 1.041902 -1.132694 2.521460
H -2.069738 -0.434692 1.817814
H -2.377746 -1.581702 0.437757
H 3.270768 -1.823461 -0.276386
H 1.518748 2.006333 0.676862
H 5.474071 -0.737104 -0.588950
H 3.739910 3.090767 0.357263
H 5.717619 1.717942 -0.274539
H -5.765459 1.097014 0.413379
H -6.264602 0.374596 -1.068452


%chk=000212626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212626

0 1
S 0.186995 -2.129433 -0.515877
O -0.154282 -0.221283 1.354899
O -3.583039 0.573871 0.278242
O -4.013049 -1.055408 -1.383946
N -5.297103 0.897813 -1.172341
C 0.970390 -1.028880 0.869798
C -1.131557 0.136047 0.286750
C -0.756366 -0.580173 -1.033729
C 2.089025 -0.143284 0.303977
C 1.439548 -1.902395 2.038971
C -2.503216 -0.263018 0.861933
C 3.109182 -0.688496 -0.516325
C 2.155037 1.225613 0.665509
C 4.172947 0.121231 -0.969308
C 3.217184 2.038219 0.206386
C 4.230413 1.489389 -0.611269
C -4.283087 0.035979 -0.821509
H -1.104169 1.234442 0.147990
H -1.652494 -0.893450 -1.591247
H -0.096189 0.038221 -1.661077
H 0.607832 -2.527649 2.402326
H 2.277716 -2.549831 1.730373
H 1.790211 -1.253830 2.861161
H -2.525218 -0.034504 1.938297
H -2.712840 -1.332559 0.685246
H 3.049335 -1.739571 -0.821310
H 1.373753 1.639269 1.311511
H 4.952258 -0.310706 -1.607445
H 3.253398 3.096511 0.489379
H 5.053941 2.118182 -0.968068
H -5.454669 1.751444 -0.642352
H -5.892086 0.655539 -1.959348


