%chk=000031010.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031010

0 1
 Cl -0.9337000      -3.390600      0.4860000    
 Cl   1.919200      0.9124000      -1.287300    
 O   -7.277900       1.032000      -2.712200    
 O   -3.149400       2.345200     -0.5309000    
 O   -6.454400     -0.9830000      -2.070100    
 O   -7.680800     -0.9895000       3.119800    
 O   -7.720500       1.270900       2.928500    
 N    1.581900      -1.933800     -0.3339000    
 N   -4.379100      0.4022000     -0.8332000    
 N    3.926200     -6.4199999E-02  0.7665000    
 N    6.007400      -1.721300      4.6000001E-03
 N    7.440200      9.5299996E-02 -8.6099997E-02
 N    6.664600       2.304700      0.4315000    
 N    4.406700       2.636300       1.043100    
 N    8.894700       1.934900     -0.1789000    
 C   -5.668300       1.034500     -0.9551000    
 C   -6.371800       1.223500      0.3943000    
 C   0.3896000      -1.173200     -0.4068000    
 C    2.369600      -1.938400      0.8794000    
 C   -6.729400     -6.4199999E-02   1.147600    
 C   -1.959300      0.3249000     -0.5506000    
 C   -3.210400       1.122400     -0.6283000    
 C  -0.8290000      -1.750800     -5.0299998E-02
 C   0.4337000      0.1535000     -0.8352000    
 C   -2.003500      -1.001800     -0.1224000    
 C  -0.7407000      0.9026000     -0.9070000    
 C    3.743300      -1.385500      0.6183000    
 C   -6.476200      0.2359000      -1.957300    
 C    2.027800      -2.700300      -1.476700    
 C   -7.432400      0.1758000       2.466200    
 C    4.772400      -2.204100      0.2416000    
 C    5.161600      0.4168000      0.5291000    
 C    6.221200     -0.4074000      0.1440000    
 C    5.454000       1.761400      0.6536000    
 C    7.602600       1.422700      6.8200000E-02
 H   -5.497400       2.026300      -1.393700    
 H   -7.296100       1.792700      0.2289000    
 H   -5.742400       1.846600       1.043200    
 H    1.892900      -1.341500       1.668300    
 H    2.441900      -2.958400       1.277400    
 H   -4.348100     -0.6050000     -0.9502000    
 H   -5.815200     -0.6310000       1.356600    
 H   -7.394300     -0.6809000      0.5337000    
 H   -2.934100      -1.465500      0.1935000    
 H  -0.7035000       1.935600      -1.245900    
 H    2.544700      -3.614500      -1.166700    
 H    2.704500      -2.109200      -2.102300    
 H    1.183100      -3.012200      -2.101900    
 H    4.659700      -3.274300      0.1197000    
 H   -7.813900      0.5123000      -3.348600    
 H   -8.120300     -0.8374000       3.983500    
 H    4.633900       3.619800       1.121000    
 H    3.455700       2.377600      0.8104000    
 H    9.064700       2.925800     -7.5599998E-02
 H    9.634700       1.304700     -0.4556000    


%chk=000031010-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031010

0 1
Cl -0.421215 -3.890812 -0.652328
Cl 1.543192 1.080487 -2.524341
O -8.160136 -0.519767 -0.544640
O -3.707442 1.517276 -1.967549
O -6.468316 -2.016097 -0.002567
O -5.638740 1.974689 3.941584
O -6.211880 3.498818 2.285485
N 1.814270 -1.943556 -1.605789
N -4.524830 -0.265789 -0.736696
N 3.599367 -0.471644 0.167168
N 5.890236 -1.919369 1.118911
N 6.902766 0.131884 1.777829
N 5.744308 2.279055 1.332118
N 3.649139 2.313386 0.252707
N 7.815999 2.187207 2.395223
C -5.890415 0.271619 -0.738545
C -6.087197 1.478700 0.230351
C 0.534072 -1.381362 -1.541768
C 2.433062 -2.581129 -0.431310
C -5.771651 1.130234 1.695001
C -2.156787 -0.269072 -1.423740
C -3.505773 0.392206 -1.402742
C -0.605077 -2.116511 -1.065294
C 0.211836 -0.050905 -1.973054
C -1.901622 -1.591401 -0.980013
C -1.078282 0.488352 -1.940565
C 3.650606 -1.824218 0.097999
C -6.827857 -0.880689 -0.394316
C 2.664261 -1.830202 -2.803896
C -5.906812 2.331450 2.610143
C 4.814739 -2.521078 0.566590
C 4.684776 0.164381 0.701081
C 5.843788 -0.531571 1.211841
C 4.703709 1.623811 0.771518
C 6.784757 1.491636 1.816373
H -6.131705 0.639014 -1.754886
H -7.126323 1.838008 0.133684
H -5.426290 2.288145 -0.121956
H 1.682230 -2.642309 0.375103
H 2.733481 -3.622844 -0.666152
H -4.401532 -1.187625 -0.309683
H -4.739935 0.741563 1.795423
H -6.433629 0.334230 2.089118
H -2.698920 -2.252178 -0.626260
H -1.278723 1.508795 -2.280096
H 3.106656 -2.823868 -3.017206
H 3.482687 -1.096415 -2.682222
H 2.056803 -1.534104 -3.672689
H 4.863957 -3.614668 0.486211
H -8.749877 -1.285627 -0.306195
H -5.729793 2.779631 4.520819
H 3.645616 3.330492 0.286682
H 2.895779 1.790373 -0.199866
H 7.769784 3.201547 2.438712
H 8.609283 1.669124 2.764389


