%chk=000179269.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179269

0 1
S 2.299687 -1.364406 0.411465
S -0.821949 -2.640239 0.823549
S 2.519109 -2.538402 -1.249830
S -0.527133 -3.758469 -0.858797
S 1.458867 -4.280441 -0.985732
O -2.640360 1.867313 -0.220166
O -2.744127 -0.910663 0.454696
N 4.064374 2.965396 0.577923
C 0.968173 0.905778 -0.193300
C 2.297758 1.563554 -0.428454
C 0.833322 -0.442817 0.146964
C -0.190052 1.710791 -0.314527
C 2.881147 2.109784 0.888696
C -0.443158 -1.000147 0.338896
C -1.454195 1.173671 -0.121579
C -1.591921 -0.212591 0.208584
C -2.570902 3.260378 -0.620550
C -4.011415 -0.251509 0.185833
H 3.017723 0.871616 -0.913415
H 2.196383 2.401186 -1.155128
H -0.064926 2.763851 -0.564269
H 3.111297 1.269081 1.579155
H 2.125521 2.748164 1.399963
H 4.789479 2.421823 0.118233
H 4.468417 3.330593 1.435531
H -2.127934 3.349346 -1.616862
H -2.023442 3.843098 0.126072
H -3.633261 3.537210 -0.634827
H -4.064559 0.058494 -0.861674
H -4.138946 0.601261 0.861193
H -4.725178 -1.054302 0.407057


%chk=000179269-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179269

0 1
S 2.314238 -1.308965 0.484160
S -0.747713 -2.574251 1.176452
S 2.445985 -2.498665 -1.511268
S -0.779029 -3.781867 -0.770029
S 1.404398 -4.453270 -1.004364
O -2.714649 2.041201 -0.032706
O -2.897643 -0.570363 0.850327
N 4.269719 2.764825 0.504235
C 0.915902 1.033421 -0.161002
C 2.256315 1.679175 -0.457555
C 0.791449 -0.321140 0.261374
C -0.253635 1.828893 -0.262266
C 3.016483 2.078828 0.840144
C -0.502346 -0.863161 0.556239
C -1.527463 1.310497 0.035560
C -1.664104 -0.056223 0.451898
C -2.625215 3.462877 -0.391200
C -3.959447 -0.666849 -0.179596
H 2.898243 0.984913 -1.031676
H 2.121906 2.593941 -1.061426
H -0.141626 2.870275 -0.579076
H 3.151104 1.153066 1.452090
H 2.388071 2.770253 1.433037
H 4.953596 2.186281 0.007875
H 4.689655 3.308222 1.262176
H -2.221375 3.593334 -1.413084
H -1.999456 4.014859 0.335069
H -3.659741 3.831987 -0.348283
H -3.633928 -1.344027 -0.991368
H -4.210033 0.329782 -0.579075
H -4.821862 -1.099446 0.348032


