%chk=000251090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251090

0 1
S -2.611927 0.305723 0.089271
O 4.295861 -0.463659 -0.610367
O 4.623332 2.392977 1.168687
O 7.147101 1.618828 -1.474881
N 2.319581 -0.232194 0.663944
N 0.516208 1.199644 0.508992
N 1.100035 -2.400021 0.412924
N -1.347186 -2.053389 0.142808
N -0.402239 -4.222550 0.282245
C 3.717560 -0.701326 0.686461
C 5.293727 1.159705 0.866432
C 4.569065 0.089197 1.694632
C 5.049603 0.778179 -0.618154
C 6.318942 0.453081 -1.419173
C 1.188441 -1.039511 0.477800
C 1.834990 1.131984 0.655035
C 0.063343 -0.130440 0.394373
C -1.205395 -0.713832 0.218520
C -0.199465 -2.849836 0.263128
C -3.990992 -0.870810 -0.107849
C -5.201548 -0.003272 -0.190490
C -5.649684 0.467418 -1.435607
C -5.900560 0.347006 0.976301
C -6.786944 1.275488 -1.509853
C -7.037066 1.155385 0.894748
C -7.483031 1.619978 -0.346759
H 3.735809 -1.814886 0.794370
H 6.364063 1.266383 1.127117
H 5.279209 -0.575111 2.216742
H 3.959560 0.566029 2.493217
H 4.420416 1.537212 -1.133131
H 6.069262 0.251956 -2.481780
H 6.864684 -0.411783 -1.009068
H 5.052800 3.146400 0.709322
H 2.529013 1.962586 0.778931
H 7.759457 1.645692 -0.713736
H -4.020094 -1.580363 0.743917
H -3.840425 -1.496411 -1.010431
H 0.396946 -4.828490 0.165228
H -1.294869 -4.580921 -0.024154
H -5.108231 0.208080 -2.344212
H -5.554374 -0.006221 1.946623
H -7.130039 1.639507 -2.477035
H -7.575166 1.425757 1.801961
H -8.368074 2.249929 -0.407348


%chk=000251090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251090

0 1
S -2.537238 0.613900 0.119449
O 4.439186 -0.794444 -0.362144
O 5.061037 2.362197 1.220282
O 6.796592 1.819860 -1.445214
N 2.392828 -0.206814 0.843084
N 0.682726 1.325888 0.681675
N 1.110738 -2.288702 0.474930
N -1.288712 -1.844832 0.122657
N -0.428091 -4.022484 0.101388
C 3.738851 -0.784783 0.943414
C 5.463342 0.977612 0.943686
C 4.678488 0.018117 1.876045
C 5.056327 0.540849 -0.497234
C 6.227876 0.455508 -1.467693
C 1.230281 -0.943355 0.587710
C 1.997260 1.156253 0.882872
C 0.180343 0.020929 0.494814
C -1.115734 -0.504063 0.252417
C -0.186041 -2.673271 0.239006
C -3.927654 -0.670677 -0.199624
C -5.254005 0.045136 -0.273380
C -5.760181 0.504344 -1.517104
C -6.019674 0.269266 0.900564
C -7.006072 1.166600 -1.588018
C -7.265620 0.930953 0.832756
C -7.763051 1.381225 -0.412667
H 3.607043 -1.844454 1.208715
H 6.556062 0.872965 1.085178
H 5.364220 -0.685059 2.374260
H 4.138172 0.584394 2.650599
H 4.310307 1.266768 -0.882833
H 5.876848 0.178827 -2.480789
H 6.966304 -0.293995 -1.116824
H 5.553098 2.944668 0.585052
H 2.717452 1.951940 1.073240
H 7.500516 1.907531 -2.132843
H -3.872043 -1.392750 0.628779
H -3.664072 -1.185946 -1.135539
H 0.348540 -4.674207 0.163419
H -1.376283 -4.338616 -0.077921
H -5.172922 0.342680 -2.429119
H -5.633523 -0.074533 1.867706
H -7.385185 1.513969 -2.555692
H -7.846835 1.095292 1.747060
H -8.729799 1.894409 -0.466418


