%chk=000115170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115170

0 1
S 0.925687 2.240460 -0.144300
O -1.927406 -1.390159 -1.815550
O 1.507527 -0.639084 1.284579
O -5.534978 0.667906 1.665393
O -6.653004 0.925742 -0.259328
O 3.402928 2.233418 -1.099988
O 4.754965 0.197883 -1.257520
O 5.507249 0.389987 0.853978
N -0.798783 -0.341657 -0.142684
N 2.722518 -1.321327 -0.534096
N -6.861986 -1.970867 -0.221717
N 3.143772 3.087893 1.031334
C 0.467287 -0.342341 -0.898895
C -4.400531 -1.381559 -0.539336
C -3.162499 -0.895916 0.217373
C -5.671243 -1.282055 0.328321
C -1.950041 -0.920796 -0.689697
C 0.763941 1.036125 -1.490795
C 1.596143 -0.746980 0.076677
C -6.050463 0.189872 0.478967
C 3.969084 -1.436703 0.246122
C 2.719202 2.522408 -0.136896
C 4.837561 -0.203813 0.044162
C 4.580592 3.371903 1.245589
H 0.377803 -1.092527 -1.744685
H -4.518441 -0.808814 -1.484904
H -4.245631 -2.431140 -0.868306
H -3.334998 0.125441 0.624995
H -2.977411 -1.535427 1.108058
H -5.473280 -1.712978 1.351896
H -0.751292 0.020245 0.812713
H 1.680364 1.034517 -2.124276
H -0.067131 1.368239 -2.150556
H 2.871606 -1.220679 -1.542011
H -7.143877 -1.575963 -1.117851
H -6.679428 -2.960887 -0.357488
H 4.523752 -2.353924 -0.064561
H 3.735896 -1.549867 1.339701
H -5.771800 1.618874 1.833918
H 2.527396 3.216443 1.831008
H 5.131690 2.446695 1.523339
H 4.706142 4.114741 2.047975
H 5.045804 3.770128 0.325589
H 5.066214 1.144847 -1.412444


%chk=000115170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115170

0 1
S 0.701299 1.837202 -0.595214
O -1.784453 -1.447087 -2.001876
O 1.419595 -0.970067 1.677031
O -5.395904 -1.237723 2.263027
O -6.217184 0.839310 1.632241
O 3.336692 2.058777 -1.468675
O 4.905752 0.054024 -0.912853
O 5.059254 0.931516 1.245305
N -0.649232 -1.035426 -0.026320
N 2.973480 -1.565123 0.037627
N -6.752498 -0.217635 -0.907490
N 2.690646 3.430690 0.302253
C 0.666558 -1.044830 -0.663929
C -4.238468 -0.530686 -0.658278
C -3.101569 -1.278816 0.075258
C -5.678945 -0.827878 -0.112774
C -1.807382 -1.258353 -0.741780
C 0.903799 0.217664 -1.547776
C 1.714717 -1.194172 0.463259
C -5.814160 -0.300802 1.311880
C 4.172346 -1.360931 0.870147
C 2.469042 2.465713 -0.636155
C 4.787571 -0.009880 0.469930
C 4.005666 4.082985 0.456059
H 0.720556 -1.909520 -1.358589
H -4.064424 0.562684 -0.637174
H -4.218218 -0.844623 -1.719186
H -2.934615 -0.870455 1.088118
H -3.396497 -2.339403 0.208695
H -5.808766 -1.926077 -0.078955
H -0.639370 -0.890570 0.990667
H 1.913205 0.248751 -1.997168
H 0.144288 0.227498 -2.344026
H 3.148078 -1.648093 -0.967536
H -6.944815 0.758338 -0.661692
H -6.684993 -0.388482 -1.913303
H 4.893747 -2.180324 0.709744
H 3.874815 -1.329290 1.928203
H -5.478465 -0.841291 3.173543
H 1.969212 3.598394 1.006464
H 4.707798 3.418762 0.991395
H 3.875786 5.023270 1.015284
H 4.421859 4.310088 -0.538875
H 4.725096 0.990172 -1.252701


