%chk=000113030.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113030

0 1
 Cl   3.201500      -2.571600      0.4252000    
 Cl   4.313500       2.522600      -1.164100    
 O   -7.648500      0.3133000     -0.8002000    
 O   -4.350300      -2.835100     -5.1199999E-02
 O    8.375200      -1.996500      0.3045000    
 O    8.822600      5.5500001E-02 -0.3347000    
 N   -5.748400      -1.016200     -0.5054000    
 N   -3.393900       1.780900      0.2177000    
 N    2.076400      0.6537000      0.6323000    
 N    2.507900      0.2196000     -0.4610000    
 N    8.003800     -0.8542000     -5.8400001E-02
 C   -4.739600     -3.0000000E-03 -0.7499000    
 C   -4.396900      0.7828000      0.5063000    
 C   -7.833000      -2.025300     -0.2506000    
 C   -6.747600      -3.059200     -1.4000000E-03
 C   -7.098800     -0.7520000     -0.5563000    
 C   -5.452600      -2.321100     -0.1828000    
 C   -3.832600       3.111500     -0.2058000    
 C   -2.026000       1.493900      0.3233000    
 C   -1.599500      0.2236000      0.7263000    
 C   -1.074200       2.475200      2.5100000E-02
 C   -3.789200       4.073200      0.9661000    
 C  -0.2380000     -6.1600000E-02  0.8300000    
 C   0.7056000      0.9216000      0.5317000    
 C   0.2874000       2.190100      0.1291000    
 C   0.1857000      -1.427100       1.262800    
 C    3.883600     -4.8900001E-02 -0.3597000    
 C    4.318900      -1.311400      4.1499998E-02
 C    4.811800      0.9470000     -0.6612000    
 C    6.613600     -0.5827000     -0.1598000    
 C    5.684400      -1.578500      0.1420000    
 C    6.177300      0.6801000     -0.5614000    
 H   -5.114800      0.6752000      -1.525700    
 H   -3.846100     -0.4964000      -1.149000    
 H   -4.140200      0.1306000       1.348400    
 H   -5.310100       1.285400      0.8555000    
 H   -8.461000      -2.303200      -1.102100    
 H   -8.462000      -1.886300      0.6336000    
 H   -6.804800      -3.460000       1.015000    
 H   -6.807900      -3.882400     -0.7194000    
 H   -3.269700       3.485400      -1.068200    
 H   -4.870500       3.058700     -0.5601000    
 H   -2.293900     -0.5796000      0.9486000    
 H   -1.328800       3.479000     -0.2964000    
 H   -4.428500       3.720600       1.783100    
 H   -2.783300       4.205700       1.373300    
 H   -4.155400       5.057500      0.6568000    
 H    1.014600       2.963500     -0.1048000    
 H   0.4223000      -2.036500      0.3871000    
 H  -0.6173000      -1.933600       1.810800    
 H    1.035700      -1.381900       1.949500    
 H    6.004600      -2.569300      0.4572000    
 H    6.886200       1.469800     -0.8013000    


%chk=000113030-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113030

0 1
Cl 4.562523 0.769778 -2.841735
Cl 3.632541 -0.523358 2.557042
O -7.975611 -0.005198 -0.923171
O -4.492541 -2.214949 1.290257
O 9.213704 -0.382300 -0.541840
O 8.805065 -0.934558 1.639778
N -6.036410 -0.963142 0.024074
N -3.397090 1.729698 -0.413855
N 1.894314 -0.215021 0.086393
N 2.873009 0.502669 -0.420501
N 8.415224 -0.564450 0.461435
C -5.043472 -0.144176 -0.683969
C -4.513158 1.008138 0.217902
C -8.116901 -1.873501 0.746572
C -6.964517 -2.610932 1.473066
C -7.438850 -0.835414 -0.153869
C -5.677685 -1.956554 0.964683
C -3.737626 2.983887 -1.128019
C -2.085707 1.269749 -0.299883
C -1.792638 0.009703 0.323645
C -0.984054 2.043806 -0.810497
C -3.632267 4.243519 -0.238666
C -0.480262 -0.474053 0.444583
C 0.603575 0.318774 -0.071232
C 0.320670 1.573577 -0.696265
C -0.218047 -1.812153 1.105530
C 4.191791 0.105991 -0.154156
C 5.157224 0.281450 -1.199284
C 4.718799 -0.310425 1.114621
C 6.977072 -0.335617 0.248984
C 6.525668 0.063798 -1.029885
C 6.086434 -0.520684 1.328793
H -5.529366 0.262090 -1.587533
H -4.203981 -0.795834 -0.980162
H -4.196460 0.594651 1.191045
H -5.331679 1.723254 0.413423
H -8.732933 -2.540966 0.120141
H -8.805748 -1.356150 1.436006
H -7.009306 -2.515491 2.571327
H -6.930254 -3.690392 1.246702
H -3.094029 3.083233 -2.019828
H -4.772432 2.881847 -1.503665
H -2.597644 -0.623144 0.710087
H -1.158269 3.014500 -1.281697
H -4.310139 4.171259 0.630750
H -2.605445 4.379937 0.141949
H -3.912061 5.143585 -0.815759
H 1.162903 2.157019 -1.081984
H 0.297080 -2.500513 0.412559
H -1.160188 -2.279121 1.437978
H 0.453839 -1.697100 1.974216
H 7.239350 0.188737 -1.846743
H 6.475183 -0.827052 2.302555


