%chk=000087255.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000087255

0 1
S -2.999990 2.453768 0.909653
N -1.416871 0.267476 0.293079
C 1.857129 0.249930 -0.007077
C 0.807091 -0.713224 0.619938
C -0.577716 -0.897081 -0.043789
C 2.876243 0.596574 1.103633
C 2.615573 -0.449245 -1.152457
C 1.229922 1.553222 -0.520088
C -1.278137 -2.126986 0.570629
C -0.550242 -1.016749 -1.570777
C -2.090070 1.197855 0.552309
H 0.637643 -0.397790 1.672412
H 1.277565 -1.714819 0.699284
H 2.405393 1.140044 1.929517
H 3.348905 -0.298056 1.518835
H 3.677620 1.236488 0.718695
H 1.965310 -0.684556 -1.998602
H 3.080144 -1.382792 -0.821219
H 3.418310 0.189934 -1.538024
H 0.531492 1.376198 -1.347878
H 0.680027 2.078739 0.269123
H 1.994809 2.245394 -0.889221
H -2.307105 -2.237664 0.204638
H -0.746135 -3.050550 0.316954
H -1.336249 -2.068312 1.664401
H -1.550114 -1.181459 -1.990898
H 0.082064 -1.855720 -1.884399
H -0.148312 -0.104020 -2.041374


%chk=000087255-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087255

0 1
S -3.001053 2.416916 1.073195
N -1.444471 0.279200 0.027586
C 1.859754 0.302652 -0.023502
C 0.782286 -0.674817 0.562414
C -0.613433 -0.909982 -0.118605
C 2.895179 0.532099 1.117851
C 2.620538 -0.324036 -1.226192
C 1.272930 1.678622 -0.434597
C -1.324308 -2.069941 0.643090
C -0.543268 -1.265748 -1.625535
C -2.103563 1.169873 0.506905
H 0.558577 -0.348664 1.598638
H 1.252664 -1.676220 0.646590
H 2.430117 1.041541 1.982585
H 3.319230 -0.426959 1.472865
H 3.732184 1.160978 0.761605
H 1.974802 -0.468600 -2.107974
H 3.053783 -1.305754 -0.953800
H 3.453671 0.337127 -1.531157
H 0.565069 1.597312 -1.278280
H 0.738549 2.159812 0.404645
H 2.090609 2.355537 -0.747364
H -2.356382 -2.198071 0.273124
H -0.773176 -3.013191 0.481572
H -1.362078 -1.864057 1.727251
H -1.546400 -1.546489 -1.991850
H 0.139587 -2.119111 -1.778676
H -0.187097 -0.413430 -2.225089


