%chk=000031629.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031629

0 1
 Cl   5.146100      -1.265400      1.5000000E-03
 N  -3.1800002E-02   1.538100      1.9999999E-04
 N   -4.883700      -1.212800      5.0000002E-04
 C   -1.226400     -0.5503000     -1.9999999E-04
 C    1.202700     -0.5270000     -3.9999999E-04
 C   -1.192400      0.8543000       0.000000    
 C    1.141700      0.8768000     -9.9999997E-05
 C  -5.2000000E-03  -1.231800     -5.0000002E-04
 C   -2.455300      -1.233200     -1.9999999E-04
 C   -2.405100       1.538500      1.9999999E-04
 C    2.444500      -1.186000     -6.0000003E-04
 C   -3.653600     -0.5256000       0.000000    
 C    2.341000       1.584200       0.000000    
 C   -3.628100      0.8632000      3.0000001E-04
 C    3.629000     -0.4554000     -5.0000002E-04
 C    3.576700      0.9325000     -1.9999999E-04
 H   5.2999998E-03  -2.321100     -6.0000003E-04
 H   -2.471500      -2.321900     -3.0000001E-04
 H   -2.411300       2.627100      3.9999999E-04
 H    2.479800      -2.274100     -3.9999999E-04
 H    2.326300       2.672700      3.0000001E-04
 H   -4.551400       1.436900      5.0000002E-04
 H    4.487600       1.525600      1.9999999E-04
 H   -4.899100      -2.223900     -5.0000002E-04
 H   -5.752700     -0.6956000     -1.9999999E-04


%chk=000031629-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031629

0 1
Cl 5.291966 -1.243682 -0.000199
N -0.032825 1.570204 0.000163
N -4.950083 -1.181702 -0.000065
C -1.238149 -0.618226 -0.000085
C 1.220943 -0.579225 -0.000086
C -1.194588 0.847899 0.000088
C 1.154093 0.883189 0.000071
C 0.004402 -1.303595 -0.000151
C -2.503771 -1.286660 -0.000184
C -2.444599 1.564707 0.000187
C 2.510077 -1.220118 -0.000198
C -3.704645 -0.558979 -0.000077
C 2.381046 1.635000 0.000157
C -3.654591 0.891282 0.000113
C 3.655497 -0.439546 -0.000107
C 3.616068 0.993988 0.000119
H 0.023523 -2.400652 -0.000292
H -2.525245 -2.384037 -0.000317
H -2.395871 2.657870 0.000324
H 2.574637 -2.313357 -0.000326
H 2.306463 2.726553 0.000306
H -4.597655 1.452664 0.000216
H 4.550745 1.562460 0.000244
H -5.027933 -2.194775 -0.000272
H -5.806403 -0.635463 -0.000228


