%chk=000164764.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164764

0 1
 S   0.4355000      -2.524400      -1.935300    
 S    4.954100     -0.6033000     -0.2509000    
 S   -5.310600     -0.7873000     -0.5784000    
 S    6.919200      0.5240000      -2.165400    
 O   -1.101700      -1.171500       2.238400    
 O   0.8080000       1.369200       1.017900    
 O    2.327300      0.2957000       2.348200    
 O   -3.733000      -2.645300       1.357000    
 N   0.4947000      -1.637900      0.5667000    
 N   -2.187500      -2.800600     -0.3682000    
 N    6.321200       1.692300      0.2633000    
 C   0.3895000      -2.886900     -0.1653000    
 C   -1.011000      -3.029800      0.4699000    
 C  -0.6094000      -1.796500       1.328400    
 C    1.488700     -0.7327000      0.3759000    
 C    2.293900     -0.7852000     -0.7118000    
 C    2.100300      -1.781300      -1.852900    
 C    3.468600      0.1320000     -0.9537000    
 C    1.609600      0.3446000       1.369600    
 C   -3.466200      -2.625500      0.1565000    
 C   -4.523600      -2.384600     -0.8941000    
 C    6.130600      0.6605000     -0.6770000    
 C   -3.847700      0.2665000     -0.7191000    
 C   -4.171500       1.718900     -0.5010000    
 C    5.610700       1.776800       1.542900    
 C    7.258500       2.795500      3.8400002E-02
 C   -4.110700       2.249400      0.7810000    
 C   -4.527600       2.511500      -1.584200    
 C   -4.411400       3.596400      0.9834000    
 C   -4.828100       3.858600      -1.382000    
 C   -4.770100       4.400900     -9.8099999E-02
 H    1.109700      -3.641400      0.1727000    
 H   -1.119900      -3.944600       1.064700    
 H    2.840700      -2.584400      -1.771500    
 H    2.250900      -1.284000      -2.816800    
 H   -2.077300      -2.764500      -1.378600    
 H    3.302000       1.111700     -0.4942000    
 H    3.602600      0.3205000      -2.024200    
 H   -4.113800      -2.400500      -1.907900    
 H   -5.270400      -3.180900     -0.8202000    
 H   0.8582000       2.112900       1.655700    
 H   -3.398600      0.1325000      -1.710300    
 H   -3.089300     -3.1599998E-02  1.2500000E-02
 H    5.376400      0.7934000       1.953200    
 H    4.685700       2.338900       1.384200    
 H    6.230700       2.301900       2.276400    
 H    6.723300       3.739900      0.1804000    
 H    8.061900       2.721100      0.7779000    
 H    7.702800       2.803200     -0.9565000    
 H   -3.833100       1.631900       1.630800    
 H   -4.577000       2.099600      -2.588300    
 H   -4.366500       4.018700       1.983000    
 H   -5.107700       4.485000      -2.224000    
 H   -5.004300       5.449700      5.9400000E-02


%chk=000164764-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164764

0 1
S 1.199529 -1.214719 -1.175415
S 5.480900 0.617415 1.070987
S -5.304025 -1.482475 -1.262156
S 5.796222 1.299014 -1.994448
O -1.645397 0.819935 1.627434
O 1.972862 2.948273 2.301840
O 0.799448 1.420530 3.594521
O -2.924963 -3.588022 0.309390
N 0.549621 -0.224819 1.327179
N -1.848113 -1.663078 -0.442299
N 7.673081 0.083315 -0.403015
C 0.556114 -1.501805 0.580298
C -1.011902 -1.545724 0.724962
C -0.874434 -0.106806 1.336598
C 1.603850 0.713845 1.410580
C 2.686353 0.625043 0.554272
C 2.810767 -0.452115 -0.517493
C 3.875722 1.544851 0.614542
C 1.412955 1.683176 2.537205
C -2.824913 -2.660984 -0.543567
C -3.765891 -2.500651 -1.728804
C 6.430236 0.642812 -0.544501
C -4.521853 0.268990 -1.173146
C -5.611536 1.295140 -0.966203
C 8.166229 -0.442083 0.892494
C 8.614867 -0.012618 -1.540466
C -5.765935 1.923730 0.295870
C -6.491504 1.646980 -2.023408
C -6.777221 2.890595 0.496409
C -7.502450 2.611732 -1.823568
C -7.647922 3.236948 -0.562230
H 1.135921 -2.307000 1.054692
H -1.346140 -2.308946 1.449653
H 3.435855 -1.285070 -0.148157
H 3.324993 -0.031239 -1.400097
H -1.776896 -0.949589 -1.170686
H 3.774995 2.347382 1.353230
H 4.099824 1.970838 -0.386782
H -3.282331 -2.027414 -2.602274
H -4.161365 -3.487031 -2.013433
H 1.780823 3.525994 3.090166
H -3.993391 0.420747 -2.132473
H -3.804665 0.282545 -0.337004
H 7.517047 -1.255597 1.264428
H 8.202172 0.355378 1.656689
H 9.181816 -0.839849 0.745902
H 9.522188 0.583665 -1.330913
H 8.903062 -1.067717 -1.700204
H 8.128132 0.376044 -2.446522
H -5.088698 1.657866 1.116279
H -6.384862 1.157515 -2.998992
H -6.883818 3.371567 1.475078
H -8.175567 2.876322 -2.646861
H -8.432488 3.986162 -0.407078


