%chk=000057442.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057442

1 1
 Cl  -2.884900       2.421000      0.4959000    
 N   0.3254000      0.6094000      0.2661000    
 C    3.052400     -0.7222000      0.2769000    
 C    2.123500     -0.8137000     -0.9515000    
 C    2.901600      0.7917000      0.5325000    
 C   0.6416000     -0.6587000     -0.5660000    
 C    1.515800       1.144600       1.101300    
 C    2.589900      0.3527000      -1.842500    
 C    3.103600       1.413900     -0.8618000    
 C    4.493900      -1.199200      3.6899999E-02
 C    2.522900      -1.563500       1.464800    
 C  -0.8165000      0.2600000       1.243200    
 C  -0.2423000       1.717300     -0.6345000    
 C   -2.071100     -0.1798000      0.5479000    
 C   -3.054300      0.7331000      0.1769000    
 C   -2.232500      -1.536500      0.2802000    
 C   -4.208400      0.2860000     -0.4665000    
 C   -3.386500      -1.983700     -0.3632000    
 C   -4.374400      -1.072400     -0.7365000    
 H    2.249100      -1.765900      -1.480200    
 H    3.666900       1.160900       1.225000    
 H   1.0300000E-02 -0.6417000      -1.462000    
 H   0.3701000      -1.536900      2.0000000E-02
 H    1.416800      0.7555000       2.120700    
 H    1.397300       2.232100       1.178700    
 H    1.807900      0.7248000      -2.509900    
 H    3.415300      2.6200000E-02  -2.487000    
 H    4.171800       1.585200      -1.043500    
 H    2.615200       2.384900     -0.9779000    
 H    4.518000      -2.267600     -0.2052000    
 H    4.975000     -0.6703000     -0.7913000    
 H    5.113500      -1.037800      0.9261000    
 H    2.550900      -2.630300       1.210600    
 H    3.168100      -1.421200       2.340600    
 H    1.511100      -1.356900       1.800800    
 H  -0.9783000       1.131500       1.889000    
 H  -0.4580000     -0.5341000       1.908900    
 H   0.5411000       2.018600      -1.328500    
 H   -1.055500       1.346400      -1.257800    
 H  -0.4502000       2.596500     -2.5400000E-02
 H   -1.503900      -2.275600      0.5980000    
 H   -4.987900      0.9831000     -0.7634000    
 H   -3.520900      -3.042400     -0.5643000    
 H   -5.273900      -1.421100      -1.235300    


%chk=000057442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057442

1 1
Cl -3.043503 2.479132 0.917271
N 0.325521 0.512056 0.165343
C 3.137414 -0.701784 0.359271
C 2.269147 -0.859422 -0.937617
C 2.903460 0.836043 0.564344
C 0.764854 -0.782313 -0.593467
C 1.467378 1.102432 1.063068
C 2.757500 0.308205 -1.848700
C 3.184818 1.438196 -0.846111
C 4.631856 -1.012195 0.076118
C 2.716351 -1.599016 1.549449
C -0.868285 0.181237 1.143491
C -0.151774 1.567299 -0.832068
C -2.179823 -0.181738 0.485597
C -3.241252 0.752212 0.339526
C -2.441084 -1.519319 0.073905
C -4.487224 0.402922 -0.213248
C -3.678451 -1.891957 -0.488166
C -4.701581 -0.927725 -0.637001
H 2.415133 -1.844647 -1.420578
H 3.573737 1.262087 1.334994
H 0.139953 -0.832815 -1.500017
H 0.495849 -1.629194 0.056503
H 1.329566 0.663523 2.064836
H 1.261382 2.184323 1.133596
H 1.987083 0.628822 -2.572269
H 3.617809 -0.021726 -2.453372
H 4.257399 1.668236 -0.949737
H 2.655816 2.394069 -1.008978
H 4.761778 -2.084112 -0.160637
H 5.051776 -0.435073 -0.763148
H 5.244974 -0.793837 0.969492
H 2.857804 -2.664797 1.292949
H 3.352505 -1.390169 2.428720
H 1.667636 -1.480547 1.876595
H -0.980693 1.085266 1.765433
H -0.497622 -0.643840 1.774527
H 0.677884 1.859463 -1.484274
H -0.970619 1.143501 -1.431476
H -0.524996 2.438816 -0.274603
H -1.669707 -2.284068 0.221088
H -5.278607 1.152353 -0.299535
H -3.851711 -2.928714 -0.791192
H -5.669954 -1.207286 -1.063121


