%chk=000004514.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004514

0 1
 Cl  -3.953500       1.951100       1.796600    
 O  -0.8857000       1.949600       1.310600    
 O   -1.084700      -4.996600      0.4404000    
 O   -2.825100      -3.727300      1.7000001E-02
 N    3.395400      7.9599999E-02  -1.237300    
 N    1.483100      0.6778000       1.350200    
 N    2.859800       2.387500       1.013300    
 N   -1.620000      -3.866100      0.3381000    
 C    2.302100       1.017300     -0.9841000    
 C    2.231700       1.386100      0.4727000    
 C    3.414300     -0.3151000      -2.645400    
 C    4.676400      0.6727000     -0.8555000    
 C   0.6946000     -0.4423000       1.095600    
 C  -0.6425000     -0.3051000      0.7380000    
 C    1.642200       1.275700       2.568500    
 C    2.112400     -0.9893000      -3.044100    
 C    5.824700     -0.2885000      -1.111900    
 C    1.272000      -1.703000       1.204400    
 C    2.496300       2.327900       2.335300    
 C   -1.411200      -1.441500      0.4865000    
 C   -1.275200       1.003000      0.6144000    
 C  -0.8383000      -2.708900      0.5939000    
 C   0.5033000      -2.839500      0.9528000    
 C   -2.396900       1.258900     -0.3356000    
 C   -3.623700       1.686200      0.1221000    
 C   -2.138900       1.048500      -1.674000    
 C   -4.643300       1.914700     -0.8021000    
 C   -3.158600       1.276900      -2.598100    
 C   -4.410700       1.709900      -2.162100    
 H    1.329400      0.6143000      -1.277000    
 H    2.434900       1.938400      -1.568500    
 H    3.610400      0.5366000      -3.309000    
 H    4.191600      -1.063300      -2.830100    
 H    4.865900       1.617600      -1.380300    
 H    4.706300      0.8778000      0.2193000    
 H    1.155800      0.9193000       3.466700    
 H    1.806700      -1.748600      -2.316100    
 H    1.294000     -0.2760000      -3.180000    
 H    2.242800      -1.496500      -4.006900    
 H    5.611800      -1.291200     -0.7252000    
 H    6.083200     -0.3603000      -2.172900    
 H    6.723900      7.1999997E-02 -0.5992000    
 H    2.316700      -1.820300       1.481900    
 H    2.867400       3.045600       3.052200    
 H   -2.461400      -1.338700      0.2256000    
 H   0.9835000      -3.810400       1.045500    
 H   -1.166700      0.7180000      -2.027300    
 H   -5.624800       2.252400     -0.4790000    
 H   -2.977100       1.118900      -3.657200    
 H   -5.204400       1.888100      -2.881800    


%chk=000004514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004514

0 1
Cl -4.548298 1.896877 2.568826
O -1.594165 1.379937 2.353285
O -0.738853 -4.921057 -0.524394
O -2.733856 -3.948000 0.008498
N 3.791745 -0.091048 -1.307019
N 1.290531 1.032396 0.778961
N 2.830180 2.672413 0.451132
N -1.452921 -3.910525 -0.154173
C 2.738991 0.977852 -1.399225
C 2.315361 1.544262 -0.071777
C 4.038518 -0.693382 -2.653623
C 5.062387 0.426487 -0.704451
C 0.551124 -0.180098 0.584075
C -0.873612 -0.267260 0.733341
C 1.214546 1.904725 1.889993
C 2.923567 -1.638112 -3.140514
C 5.944931 -0.698840 -0.134371
C 1.282908 -1.325561 0.167947
C 2.166260 2.890550 1.669678
C -1.512716 -1.501502 0.471155
C -1.783661 0.847796 1.224503
C -0.756832 -2.626262 0.093554
C 0.641505 -2.551081 -0.070768
C -2.926169 1.236975 0.330792
C -4.159515 1.771986 0.800038
C -2.752260 1.133556 -1.080951
C -5.167219 2.188962 -0.091996
C -3.744153 1.562246 -1.982721
C -4.956636 2.091992 -1.485177
H 1.867986 0.545871 -1.924090
H 3.099461 1.843601 -2.001508
H 4.212257 0.107920 -3.416197
H 4.977349 -1.270544 -2.586662
H 5.637252 1.024955 -1.453630
H 4.793378 1.123570 0.106664
H 0.510256 1.731981 2.696600
H 2.778925 -2.469598 -2.429106
H 1.954435 -1.122974 -3.268778
H 3.198747 -2.068198 -4.121000
H 5.395025 -1.264532 0.638494
H 6.274683 -1.413485 -0.910334
H 6.852654 -0.269522 0.328372
H 2.364694 -1.222581 -0.004949
H 2.415119 3.736222 2.305554
H -2.598262 -1.599240 0.563504
H 1.201256 -3.439716 -0.373713
H -1.811409 0.724273 -1.462890
H -6.107757 2.582369 0.303915
H -3.576453 1.483100 -3.061214
H -5.741385 2.424147 -2.172753


