%chk=000215059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215059

0 1
S -0.146555 2.588370 0.282208
O 1.261667 -1.657999 1.391080
N 3.377290 -0.408283 -0.130154
C 3.945313 0.931368 0.239178
C 4.176060 -1.049955 -1.227199
C 5.395179 0.765944 0.723118
C 5.630560 -1.242587 -0.766230
C 6.260419 0.091866 -0.348734
C 1.936089 -0.288923 -0.519535
C 1.093521 -0.364928 0.777629
C -0.381301 -0.234967 0.472234
C -0.955224 1.042678 0.243855
C -1.205827 -1.332063 0.410113
C -2.309789 1.219520 -0.046699
C -2.606466 -1.202834 0.117084
C -3.175799 0.077717 -0.119156
C -2.662629 2.616958 -0.238907
C -3.447644 -2.355731 0.057600
C -4.567724 0.180450 -0.412261
C -1.616492 3.465105 -0.096485
C -4.787118 -2.229927 -0.226370
C -5.353234 -0.947401 -0.464650
H 3.324546 1.351868 1.060186
H 3.906681 1.658070 -0.600874
H 4.152759 -0.465127 -2.171609
H 3.721784 -2.041396 -1.444011
H 5.407283 0.156518 1.649051
H 5.811422 1.753197 0.993597
H 6.217272 -1.711757 -1.576634
H 5.655376 -1.948662 0.087997
H 6.365690 0.755841 -1.227389
H 7.283765 -0.073558 0.035880
H 1.695401 0.634107 -1.086461
H 1.646107 -1.139784 -1.175128
H 1.420435 0.392306 1.529414
H -0.793256 -2.328473 0.600668
H 2.225418 -1.883265 1.403593
H -3.677485 2.913501 -0.471540
H -3.006732 -3.334740 0.243802
H -4.996180 1.165091 -0.592319
H -1.601843 4.537782 -0.183764
H -5.431794 -3.106248 -0.271787
H -6.416644 -0.875248 -0.687491


%chk=000215059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215059

0 1
S -0.342284 2.882236 0.156898
O 1.496646 -1.231677 1.439038
N 3.358875 -0.280823 -0.204581
C 4.140612 0.818717 0.432235
C 4.082806 -0.885421 -1.357809
C 5.518483 0.319543 0.909634
C 5.457149 -1.431432 -0.921320
C 6.304239 -0.321978 -0.256221
C 1.962164 0.119673 -0.526182
C 1.104167 0.007343 0.780987
C -0.385488 0.008316 0.482417
C -1.078510 1.220194 0.177821
C -1.127826 -1.172216 0.482637
C -2.463066 1.267315 -0.128184
C -2.532212 -1.192288 0.173999
C -3.225675 0.038896 -0.142382
C -2.931615 2.616597 -0.381442
C -3.270051 -2.420604 0.178069
C -4.623169 -0.010155 -0.443806
C -1.951132 3.578488 -0.273486
C -4.635421 -2.441778 -0.120835
C -5.316366 -1.225881 -0.434970
H 3.560920 1.208063 1.288554
H 4.276752 1.662661 -0.289472
H 4.227893 -0.133121 -2.173241
H 3.456813 -1.700316 -1.765479
H 5.371410 -0.426313 1.714903
H 6.082675 1.167474 1.342517
H 5.979878 -1.848012 -1.803393
H 5.302181 -2.260385 -0.203340
H 6.545763 0.456706 -1.009164
H 7.266045 -0.732682 0.103799
H 1.890508 1.140236 -0.962440
H 1.560005 -0.601008 -1.260919
H 1.334251 0.875745 1.441298
H -0.610354 -2.099333 0.749320
H 2.452902 -1.349372 1.121837
H -3.965505 2.864716 -0.631766
H -2.741581 -3.349573 0.422648
H -5.157239 0.915642 -0.684390
H -2.030962 4.655810 -0.408059
H -5.187751 -3.387736 -0.114216
H -6.386628 -1.247863 -0.668616


