%chk=000198108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198108

0 1
S -1.541971 0.328815 -1.856942
S 4.670012 -0.090586 -0.425369
P -1.635761 0.026752 0.014205
O -1.353731 1.141762 1.162153
O -3.082785 -0.466795 0.606591
O -0.843803 -1.439179 0.535634
N 0.796222 0.014528 -0.015526
N 2.031254 0.361373 -0.240439
C -0.913692 2.472383 0.728666
C -3.767806 -1.535852 -0.128108
C 0.484255 -1.279210 0.355472
C -2.104768 3.296188 0.284320
C -5.038226 -1.730807 0.677364
C 1.454486 -2.289185 0.517615
C 2.765978 -1.908694 0.269561
C 3.018356 -0.566778 -0.113304
C 4.560640 1.613802 -0.995635
H -0.478741 2.837482 1.682917
H -0.115823 2.404707 -0.037022
H -3.976895 -1.198329 -1.162195
H -3.129997 -2.439969 -0.127577
H -1.894834 4.369831 0.366847
H -2.388518 3.106507 -0.761207
H -2.989319 3.088824 0.904562
H -5.662918 -2.526097 0.256912
H -4.807880 -1.987279 1.721426
H -5.631949 -0.806457 0.709821
H 1.170765 -3.296224 0.816623
H 3.585828 -2.624216 0.365062
H 3.922344 1.708549 -1.885748
H 5.574137 1.949162 -1.250817
H 4.149339 2.278789 -0.224261


%chk=000198108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198108

0 1
S -2.035370 0.490036 -2.078859
S 4.966871 -0.254783 -0.439989
P -1.936511 0.089364 -0.060689
O -1.719834 1.328625 1.093670
O -3.296816 -0.629173 0.695392
O -0.794994 -1.249760 0.398352
N 0.977875 0.195783 -0.093931
N 2.316399 0.445986 -0.290351
C -1.031928 2.604067 0.691905
C -3.928235 -1.812711 0.033900
C 0.558705 -1.062222 0.202966
C -2.058616 3.647533 0.254627
C -5.215824 -2.081782 0.805416
C 1.439059 -2.172395 0.334429
C 2.797982 -1.922776 0.139065
C 3.198954 -0.587978 -0.177324
C 4.919029 1.583713 -0.837876
H -0.509446 2.894846 1.618246
H -0.282707 2.376143 -0.086282
H -4.121404 -1.568970 -1.028745
H -3.224265 -2.663426 0.092907
H -1.547333 4.613387 0.080089
H -2.557136 3.346427 -0.682507
H -2.823915 3.797047 1.035521
H -5.730868 -2.960355 0.374692
H -4.997939 -2.288523 1.866662
H -5.893349 -1.213435 0.749208
H 1.050391 -3.163714 0.576484
H 3.538076 -2.723934 0.221473
H 4.289036 1.753689 -1.721699
H 5.965099 1.864796 -1.034357
H 4.513212 2.138295 0.019206


