%chk=000190686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190686

0 1
S -1.031851 2.041657 0.124752
O 2.068125 -1.105712 -0.933279
O -0.705774 2.574371 -1.172068
O -1.513845 2.929470 1.168316
O 4.470370 -2.482322 1.030504
N 0.469224 1.511644 0.872823
N 0.994889 -0.251562 -0.704812
N -4.448309 -2.732324 -0.267802
C 2.669405 0.218903 0.814579
C 1.317993 0.552588 0.339752
C -1.999275 0.657960 0.012168
C 3.072722 -0.805782 -0.004452
C -2.871834 0.322867 1.063405
C -1.950268 -0.159812 -1.132514
C 3.384670 0.883595 1.917300
C 4.298984 -1.638259 -0.112435
C -3.676753 -0.801693 0.992861
C -2.746863 -1.290587 -1.232280
C -3.619122 -1.624909 -0.165045
H 0.836844 2.030485 1.680226
H -2.919649 0.966938 1.951180
H -1.272089 0.099354 -1.958742
H 4.438367 0.576050 1.976612
H 3.385065 1.979158 1.793772
H 2.920432 0.662015 2.891217
H 4.237805 -2.365813 -0.952872
H 5.202757 -1.005078 -0.233178
H -4.349648 -1.047227 1.808421
H -2.696076 -1.914238 -2.120309
H -4.972886 -3.055037 0.525852
H -4.327652 -3.393075 -1.015589
H 4.375342 -1.965524 1.859839


%chk=000190686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190686

0 1
S -0.817711 1.567750 0.313903
O 2.529557 -1.489066 -0.583533
O -0.126459 1.896673 -1.119529
O -1.302799 2.746090 1.329033
O 5.459295 -2.287764 0.453385
N 0.479652 0.619950 1.432307
N 1.227425 -1.041909 -0.114029
N -5.330782 -2.362205 -0.462534
C 2.947700 0.175072 0.922009
C 1.518047 -0.041947 0.771824
C -2.188970 0.347740 0.080828
C 3.532498 -0.755002 0.077101
C -3.302498 0.432952 0.936994
C -2.076449 -0.611225 -0.944085
C 3.595799 1.211730 1.797439
C 4.952359 -1.094512 -0.253293
C -4.357546 -0.474136 0.748872
C -3.134462 -1.515208 -1.123135
C -4.288730 -1.463702 -0.280675
H 0.777479 1.339254 2.112869
H -3.342497 1.202429 1.714352
H -1.182449 -0.652627 -1.572848
H 4.690188 1.229578 1.659316
H 3.217588 2.224322 1.560710
H 3.400515 1.024919 2.870565
H 5.043920 -1.352973 -1.319930
H 5.589772 -0.210867 -0.045161
H -5.239648 -0.422502 1.397079
H -3.069236 -2.273553 -1.911328
H -6.153385 -2.337318 0.133470
H -5.286614 -3.073068 -1.187386
H 5.279542 -2.190773 1.423609


