%chk=000116352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116352

0 1
S -3.247641 -2.133853 -0.352563
S 3.357714 -0.272580 1.208204
O -3.767580 2.414941 -0.247221
O 1.033549 2.265468 0.631433
N -4.612613 -0.032616 -1.205541
N 4.779688 0.558094 -0.912812
N -2.794904 0.398588 0.342238
N 2.590089 1.408486 -0.829963
C 0.760687 -2.235101 0.645933
C -0.518940 -2.199788 -0.203053
C 2.012329 -2.209946 -0.241333
C -1.756799 -2.324431 0.671148
C 3.290611 -1.972542 0.547189
C -3.566113 -0.377654 -0.389347
C 3.531995 0.712147 -0.305140
C -2.954421 1.811548 0.443631
C 1.252328 1.648572 -0.389278
C -2.056187 2.453233 1.439751
C 0.204074 1.192662 -1.351841
H 0.763239 -1.368230 1.340776
H 0.772722 -3.134841 1.289523
H -0.495669 -2.999761 -0.968712
H -0.550362 -1.232587 -0.766460
H 2.097398 -3.174759 -0.786517
H 1.902440 -1.443500 -1.037441
H -1.833837 -3.317687 1.154527
H -1.753893 -1.563446 1.485211
H 3.359499 -2.638801 1.431451
H 4.184580 -2.169372 -0.075038
H -5.183178 -0.707098 -1.686593
H -4.886192 0.953421 -1.277989
H 5.009984 1.197623 -1.668709
H 5.568141 0.334597 -0.317471
H -0.988135 2.393155 1.132774
H -2.296284 3.517108 1.571589
H -2.100445 1.957823 2.420410
H 0.587947 1.003583 -2.363079
H -0.274507 0.256704 -0.984864
H -0.603418 1.937441 -1.435824


%chk=000116352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116352

0 1
S -3.418636 -2.259253 -0.236305
S 3.482156 -0.364038 1.305748
O -4.129097 2.337576 -0.052656
O 1.068855 1.949810 0.570658
N -4.828157 -0.045562 -0.916029
N 5.021840 0.809914 -0.617351
N -2.931559 0.354288 0.498487
N 2.754449 1.277035 -0.924306
C 0.758331 -2.247106 0.600356
C -0.560627 -2.326420 -0.205804
C 2.000586 -2.255302 -0.317679
C -1.784992 -2.320939 0.721776
C 3.333296 -2.059865 0.422156
C -3.734798 -0.443301 -0.202263
C 3.703965 0.713277 -0.237792
C -3.173478 1.741634 0.571911
C 1.417946 1.520538 -0.569062
C -2.211601 2.493307 1.460917
C 0.433930 1.354049 -1.718553
H 0.761529 -1.320595 1.206893
H 0.819974 -3.098251 1.310484
H -0.564441 -3.232027 -0.844817
H -0.623992 -1.452790 -0.881870
H 2.056318 -3.225543 -0.856081
H 1.896666 -1.474875 -1.097172
H -1.849499 -3.225452 1.349836
H -1.803828 -1.410633 1.347370
H 3.450369 -2.781988 1.250345
H 4.198083 -2.154271 -0.256141
H -5.413534 -0.704454 -1.428084
H -5.004189 0.979479 -0.885655
H 5.267213 1.389145 -1.421622
H 5.747174 0.387681 -0.041582
H -1.167732 2.354263 1.119305
H -2.466852 3.563495 1.474477
H -2.258485 2.084388 2.487067
H 0.743771 0.546510 -2.402798
H -0.574798 1.161489 -1.319682
H 0.401740 2.291390 -2.305482


