%chk=000045848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045848

0 1
 Cl  -4.662600      -1.895000     -0.2587000    
 O    1.096700      -1.126700      0.6236000    
 N   -4.444300      0.9748000     -0.6021000    
 C   -3.440300      0.8788000      0.4632000    
 C   -2.722600       2.237000      0.5235000    
 C   -1.528500       2.173200       1.465100    
 C   -2.483700     -0.2940000      0.3061000    
 C  -0.4994000       1.185200      0.9275000    
 C   -1.103000     -0.1460000      0.5544000    
 C  -0.2469000      -1.251500      0.4172000    
 C   -2.975200      -1.574400     -7.8999996E-03
 C   -5.352300       2.087900     -0.3405000    
 C   -3.791000       1.134200      -1.898000    
 C  -0.7508000      -2.504600      7.6899998E-02
 C   -2.115600      -2.667400     -0.1283000    
 C    1.951100      -1.453500     -0.4691000    
 C    3.212100     -0.6471000     -0.3629000    
 C    4.296800      -1.154300      0.3437000    
 C    3.284200      0.6004000     -0.9727000    
 C    5.548500      0.8479000     -0.1667000    
 C    5.468700     -0.4043000      0.4423000    
 C    4.456300       1.350400     -0.8743000    
 C    6.801800       1.649200     -6.2300000E-02
 H   -3.948000      0.7165000       1.425100    
 H   -3.381700       3.021200      0.9136000    
 H   -2.334100       2.585800     -0.4378000    
 H   -1.859900       1.868000       2.465800    
 H   -1.070300       3.163700       1.566200    
 H   0.2742000       1.052600       1.693200    
 H  -1.7200001E-02   1.605500      3.6100000E-02
 H   -6.224200       1.994000     -0.9993000    
 H   -4.927900       3.079500     -0.5326000    
 H   -5.745400       2.056700      0.6822000    
 H   -3.017200      0.3884000      -2.104400    
 H   -3.373400       2.128600      -2.084800    
 H   -4.545400      0.9809000      -2.680500    
 H  -9.4999999E-02  -3.365900     -1.4200000E-02
 H   -2.496000      -3.655000     -0.3776000    
 H    1.463100      -1.250800      -1.432400    
 H    2.183100      -2.525200     -0.4394000    
 H    4.244600      -2.127500      0.8240000    
 H    2.438100       1.002400      -1.523300    
 H    6.312100     -0.8056000      0.9980000    
 H    4.505400       2.325800      -1.351100    
 H    6.764900       2.290500      0.8240000    
 H    6.942300       2.280300     -0.9465000    
 H    7.681000       1.000100      1.0500000E-02


%chk=000045848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045848

0 1
Cl -4.714635 -2.045810 0.167597
O 1.075061 -0.386476 -0.076058
N -4.554742 1.044436 -0.634092
C -3.688634 0.902513 0.573206
C -3.131567 2.268222 1.099159
C -1.739058 2.153480 1.747316
C -2.607703 -0.152976 0.295185
C -0.749093 1.547524 0.731236
C -1.223658 0.172787 0.283741
C -0.265708 -0.822078 -0.074111
C -2.971974 -1.497833 0.022807
C -5.884332 1.606458 -0.365198
C -3.911769 1.577002 -1.842278
C -0.663977 -2.141175 -0.386958
C -2.033039 -2.481328 -0.319350
C 2.115881 -1.393102 -0.407375
C 3.461271 -0.711126 -0.348852
C 4.352302 -0.952834 0.723453
C 3.860170 0.183629 -1.373911
C 6.016559 0.580374 -0.249707
C 5.614088 -0.318639 0.769938
C 5.117127 0.819671 -1.323193
C 7.360897 1.284797 -0.188877
H -4.352862 0.473403 1.351307
H -3.858927 2.709352 1.805813
H -3.051209 2.970897 0.246108
H -1.782238 1.509400 2.648192
H -1.389373 3.151503 2.074866
H 0.264565 1.453900 1.157067
H -0.653048 2.228736 -0.140333
H -6.521614 1.484703 -1.261045
H -5.882464 2.694410 -0.100625
H -6.359099 1.051405 0.464708
H -2.956287 1.053240 -2.020658
H -3.702927 2.677369 -1.814764
H -4.567266 1.389142 -2.713086
H 0.061017 -2.911906 -0.660581
H -2.360245 -3.504195 -0.525393
H 1.908551 -1.790059 -1.422646
H 2.059671 -2.228459 0.319191
H 4.059305 -1.640368 1.526463
H 3.178737 0.383202 -2.209425
H 6.293641 -0.523244 1.605958
H 5.410462 1.507462 -2.125788
H 7.251178 2.315091 0.202002
H 7.822887 1.363843 -1.189285
H 8.067177 0.754358 0.473078


