%chk=000090823.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090823

0 1
 Cl  -8.759000       2.429800     -0.4245000    
 S   -2.183200      0.9303000       1.081500    
 N    1.803900      0.1495000       1.137600    
 N    4.540000      0.2236000      0.3208000    
 C    2.163900      0.6057000     -0.2107000    
 C    2.853900      0.5298000       2.090300    
 C    3.482900     -2.1299999E-02 -0.6684000    
 C    4.196700     -9.8700002E-02   1.709200    
 C   0.5159000      0.7117000       1.542300    
 C    5.870500      0.1354000     -0.1035000    
 C  -0.5767000      0.2390000      0.5912000    
 C    6.567000       1.254400     -0.6061000    
 C    6.557700      -1.093900     -3.7799999E-02
 C   -3.195700      0.1860000     -0.2172000    
 C    7.893300       1.147700      -1.024600    
 C    5.886500       2.581400     -0.6976000    
 C    7.884000      -1.200400     -0.4562000    
 C   -4.604600      0.7532000     -0.2697000    
 C   -3.163100      -1.333400     -0.2059000    
 C    8.551800     -7.9800002E-02 -0.9497000    
 C   -5.251800       1.048400      0.9141000    
 C   -5.198000      0.9585000      -1.499700    
 C   -2.542300      -1.997100      -1.245900    
 C   -3.754500      -2.007800      0.8441000    
 C   -6.544700       1.570100      0.8659000    
 C   -6.490900       1.480100      -1.547800    
 C   -2.512000      -3.391500      -1.235500    
 C   -3.724100      -3.402300      0.8543000    
 C   -7.164300       1.785800     -0.3651000    
 C   -3.102800      -4.094100     -0.1855000    
 H    1.435500      0.3008000     -0.9657000    
 H    2.243600       1.700500     -0.2455000    
 H    2.960500       1.622300       2.133900    
 H    2.590400      0.1872000       3.098300    
 H    3.360600      -1.103000     -0.8092000    
 H    3.756700      0.4060000      -1.640900    
 H    4.150600      -1.187700       1.836300    
 H    4.968300      0.2825000       2.389200    
 H   0.2768000      0.3698000       2.557800    
 H   0.5593000       1.809100       1.566000    
 H  -0.4223000      0.5832000     -0.4322000    
 H  -0.6159000     -0.8540000      0.6050000    
 H    6.054800      -1.982100      0.3386000    
 H   -2.712200      0.5311000      -1.141900    
 H    8.428100       2.010400      -1.412900    
 H    6.589600       3.381200     -0.9548000    
 H    5.111400       2.560800      -1.470100    
 H    5.433300       2.852500      0.2620000    
 H    8.396400      -2.156300     -0.3993000    
 H    9.584300     -0.1631000      -1.276200    
 H   -4.816500      0.8741000       1.892300    
 H   -4.683600      0.7216000      -2.426200    
 H   -2.078000      -1.461800      -2.068500    
 H   -4.233800      -1.494700       1.670700    
 H   -7.059600       1.799000       1.795500    
 H   -6.961400       1.642600      -2.514200    
 H   -2.027800      -3.930200      -2.044700    
 H   -4.181600      -3.949800       1.673200    
 H   -3.078400      -5.179900     -0.1770000    


%chk=000090823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090823

0 1
Cl -9.190188 2.319236 0.167813
S -2.237933 1.122202 0.791045
N 1.847077 0.374395 0.744130
N 4.701318 0.361192 0.256887
C 2.434805 1.155364 -0.372351
C 2.821734 0.257484 1.857221
C 3.732520 0.492495 -0.862107
C 4.117646 -0.416837 1.370752
C 0.520262 0.875694 1.176712
C 6.078552 0.141616 -0.074330
C -0.591233 0.361844 0.242416
C 6.826695 1.163511 -0.750236
C 6.739452 -1.060556 0.308611
C -3.432283 0.160450 -0.382086
C 8.188302 0.916981 -1.050137
C 6.218844 2.515964 -1.078663
C 8.101812 -1.273245 0.011503
C -4.837283 0.731548 -0.211094
C -3.340839 -1.346792 -0.166804
C 8.833108 -0.286643 -0.685023
C -5.340094 1.175060 1.038233
C -5.691933 0.786306 -1.341859
C -2.678150 -2.150285 -1.129422
C -3.896455 -1.974352 0.978645
C -6.660692 1.661068 1.162047
C -7.016718 1.264074 -1.237864
C -2.571827 -3.549868 -0.956879
C -3.790186 -3.369848 1.153935
C -7.481273 1.694115 0.019505
C -3.127903 -4.164400 0.186854
H 1.712981 1.197708 -1.207939
H 2.661138 2.206199 -0.057106
H 3.079777 1.257047 2.289352
H 2.372669 -0.359626 2.657423
H 3.487980 -0.511845 -1.280661
H 4.176075 1.094929 -1.669482
H 3.875316 -1.463194 1.066264
H 4.843958 -0.453938 2.201775
H 0.322097 0.499835 2.197498
H 0.491341 1.992578 1.228835
H -0.411158 0.657970 -0.805760
H -0.664614 -0.735232 0.305863
H 6.178252 -1.844236 0.827805
H -3.076213 0.392777 -1.402035
H 8.761288 1.703656 -1.557402
H 6.996408 3.299790 -1.077929
H 5.740935 2.538462 -2.078418
H 5.445615 2.782155 -0.335449
H 8.584181 -2.209860 0.314106
H 9.890585 -0.441458 -0.925121
H -4.690826 1.163632 1.920708
H -5.324801 0.447483 -2.317721
H -2.246667 -1.678435 -2.021522
H -4.413253 -1.370025 1.731440
H -7.039744 2.009211 2.127264
H -7.669224 1.303917 -2.114752
H -2.057149 -4.155108 -1.711537
H -4.225774 -3.841422 2.042148
H -3.048909 -5.248542 0.324296


