%chk=000179995.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179995

0 1
S 2.357088 0.162303 -1.574265
S -4.303882 -2.805655 1.313900
O 2.101989 -0.804964 -2.605591
O 3.213328 1.291019 -1.862329
O 2.864982 2.162351 0.430612
O -0.185491 -1.015198 -0.543553
O -3.616059 2.677093 -0.392515
O 5.033310 1.918099 1.063585
N 0.841056 0.929612 -1.155329
N -5.016417 1.045742 0.425132
N -1.458443 0.960359 -0.553744
N -2.861534 -0.782312 0.321853
C 2.833274 -0.649541 -0.120923
C 3.563648 -0.017859 0.894365
C 2.469854 -1.990815 0.028756
C 3.955013 -0.722923 2.034840
C 2.852246 -2.702818 1.174890
C -2.689776 0.465378 -0.072890
C -0.279047 0.179026 -0.731426
C 3.596235 -2.072261 2.171477
C -3.777724 1.515735 -0.045696
C 3.964715 1.425083 0.805146
C -5.194966 -0.291902 0.823706
C -4.126000 -1.148795 0.769897
C -6.167518 1.975259 0.495356
C 3.103679 3.558117 0.082852
C -2.899048 -3.681361 0.601466
H 1.869193 -2.489063 -0.747720
H 0.808849 1.958118 -1.157292
H 4.541930 -0.228232 2.812366
H 2.561309 -3.748611 1.282338
H 3.900922 -2.623888 3.063040
H -1.468829 1.956641 -0.823701
H -6.189822 -0.590611 1.164148
H -6.992777 1.629443 -0.150014
H -5.862064 2.984941 0.145462
H -6.531968 2.072151 1.531993
H 2.149697 4.041797 0.303935
H 3.921909 3.975980 0.680030
H 3.350878 3.569403 -0.988987
H -2.768142 -4.620273 1.151422
H -3.058135 -3.900487 -0.461197
H -1.964363 -3.096579 0.674802


%chk=000179995-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179995

0 1
S 2.317446 0.224263 -1.734567
S -4.380819 -2.550752 1.941579
O 2.075169 -0.881731 -2.884260
O 3.213045 1.535003 -2.059982
O 2.694477 2.130039 0.665989
O -0.267777 -1.140928 -0.707702
O -3.612163 2.610833 -0.896539
O 4.839581 1.919468 1.563723
N 0.686326 0.929203 -1.259070
N -5.061791 1.118028 0.246407
N -1.570968 0.850195 -0.745341
N -2.936355 -0.695855 0.485189
C 2.941340 -0.710663 -0.178736
C 3.618651 -0.070740 0.883096
C 2.770669 -2.099953 -0.264232
C 4.177912 -0.909742 1.884051
C 3.308862 -2.906174 0.763706
C -2.771759 0.455292 -0.154835
C -0.383247 0.097472 -0.878384
C 4.020382 -2.309621 1.829146
C -3.825060 1.492256 -0.309657
C 3.817395 1.405410 1.058007
C -5.250239 -0.115976 0.878182
C -4.176531 -0.987708 1.007634
C -6.196597 2.062998 0.132708
C 2.854924 3.606412 0.613284
C -2.979756 -3.568434 1.186645
H 2.239795 -2.529049 -1.118757
H 0.740279 1.932060 -1.055547
H 4.733875 -0.434412 2.698361
H 3.179337 -3.992007 0.720951
H 4.453925 -2.934262 2.616729
H -1.640874 1.785411 -1.173628
H -6.253443 -0.338509 1.244039
H -7.019484 1.599945 -0.437917
H -5.837911 2.957867 -0.397112
H -6.555673 2.345471 1.136773
H 1.847601 4.020773 0.765334
H 3.547092 3.943600 1.400862
H 3.249632 3.865548 -0.383205
H -2.568367 -4.190415 1.994936
H -3.372485 -4.191478 0.369914
H -2.223318 -2.859637 0.812425


