%chk=000217071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217071

0 1
S -1.179566 0.248128 -1.831607
S 1.519639 0.322909 0.678179
P -1.764235 -0.084924 0.145627
O -2.330765 -1.623206 0.115320
O -3.097813 0.816563 0.404991
O -0.665756 0.244413 1.105465
O 3.992028 -0.472885 1.235073
N 2.498320 0.821077 -1.687951
N 3.541516 0.324344 -0.999721
C 0.131434 1.516739 -1.547747
C -1.428407 -2.661718 0.612583
C -4.285102 0.622085 -0.415897
C 1.359824 0.917580 -1.013898
C -0.469969 -3.098800 -0.475138
C -5.018055 -0.649814 -0.044871
C 3.216041 0.028862 0.276545
C 5.384581 -0.748699 0.864016
H 0.315332 1.964428 -2.557388
H -0.241341 2.345303 -0.906444
H -2.162786 -3.454110 0.867669
H -0.913371 -2.322699 1.532774
H -4.026190 0.676787 -1.489631
H -4.858765 1.531465 -0.131395
H -0.081602 -4.106663 -0.279124
H -0.960922 -3.126681 -1.459298
H 0.403911 -2.438621 -0.572826
H -6.022919 -0.671866 -0.483876
H -4.494700 -1.559331 -0.382797
H -5.131501 -0.742973 1.045021
H 5.410733 -1.489621 0.059159
H 5.788648 -1.138061 1.803786
H 5.872557 0.181391 0.555200


%chk=000217071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217071

0 1
S -1.042234 0.450334 -1.463116
S 1.936510 0.017572 0.961946
P -2.141825 -0.022140 0.533954
O -2.490774 -1.714553 0.464793
O -3.716060 0.652575 0.437084
O -1.318158 0.495225 1.794232
O 4.551393 -0.814319 0.804313
N 2.574641 1.295783 -1.312820
N 3.753653 0.629713 -0.931793
C 0.205751 1.701052 -0.688621
C -1.474961 -2.694360 0.977990
C -4.541005 0.584347 -0.808292
C 1.551702 1.103071 -0.483082
C -0.592134 -3.221271 -0.153944
C -5.308348 -0.733841 -0.918332
C 3.591484 -0.068048 0.196571
C 5.882254 -0.816155 0.134063
H 0.270320 2.522474 -1.417447
H -0.240629 2.046857 0.257675
H -2.099155 -3.490469 1.416790
H -0.884035 -2.215114 1.780821
H -3.887340 0.763576 -1.685193
H -5.220152 1.444887 -0.690738
H 0.068884 -4.018051 0.236247
H -1.208253 -3.649850 -0.962857
H 0.040037 -2.423298 -0.578394
H -5.958909 -0.704195 -1.813050
H -4.622015 -1.592660 -1.006033
H -5.945391 -0.887896 -0.031086
H 5.783847 -1.214738 -0.889059
H 6.501926 -1.466379 0.766174
H 6.279775 0.211272 0.093003


