%chk=000052062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052062

0 1
 Cl  -4.207900       2.736500     -3.3000000E-03
 Cl  -6.780700      -1.989300      2.7000001E-03
 S    3.143600       1.920000      2.4000001E-03
 N    2.208000     -0.4835000       0.000000    
 N   0.5806000       1.227700      1.2000001E-03
 N  -0.5097000      0.4149000      5.0000002E-04
 C    4.281800      0.6248000      7.9999998E-04
 C    3.591100     -0.5907000     -3.9999999E-04
 C    1.865300      0.7836000      1.5000000E-03
 C    5.684900      0.6805000      7.9999998E-04
 C    4.333300      -1.791700     -1.9000000E-03
 C   -2.928500      0.3274000     -3.0000001E-04
 C    6.395300     -0.5225000     -6.0000003E-04
 C    5.730300      -1.743700     -2.0000001E-03
 C   -4.134900       1.011000     -1.0000000E-03
 C   -2.890200      -1.059600      3.0000001E-04
 C   -1.640400       1.043100      3.0000001E-04
 C   -5.330400      0.2923000     -1.2000001E-03
 C   -4.085700      -1.778400      5.0000002E-04
 C   -5.305800      -1.102500     -3.9999999E-04
 H    6.210900       1.630300      1.9000000E-03
 H    3.824000      -2.751300     -2.9000000E-03
 H    7.482000     -0.5018000     -6.0000003E-04
 H    6.299600      -2.669200     -3.1000001E-03
 H   -1.958300      -1.617500      1.1000000E-03
 H   0.4205000       2.232400      2.0000001E-03
 H   -1.658200       2.145800      6.9999998E-04
 H   -6.283200      0.8177000     -1.6000000E-03
 H   -4.051600      -2.865000      1.6000000E-03


%chk=000052062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052062

0 1
Cl -4.426705 2.776970 0.000876
Cl -6.757264 -2.242888 -0.000384
S 3.289777 2.101495 0.000524
N 2.194092 -0.389711 -0.000209
N 0.592457 1.426228 0.000325
N -0.517484 0.615224 0.000147
C 4.376426 0.638843 0.000103
C 3.592410 -0.563661 -0.000249
C 1.868125 0.879247 0.000161
C 5.781764 0.610144 0.000103
C 4.249680 -1.816351 -0.000604
C -2.914430 0.385591 0.000156
C 6.419433 -0.653412 -0.000258
C 5.659042 -1.851911 -0.000605
C -4.215160 0.956324 0.000370
C -2.837533 -1.040795 -0.000217
C -1.699380 1.204008 0.000287
C -5.390541 0.182737 0.000222
C -3.989117 -1.844650 -0.000380
C -5.254121 -1.217898 -0.000153
H 6.373424 1.530409 0.000370
H 3.649649 -2.730775 -0.000870
H 7.513411 -0.701310 -0.000267
H 6.174722 -2.817989 -0.000879
H -1.840090 -1.490922 -0.000388
H 0.503119 2.452830 0.000542
H -1.824061 2.302052 0.000549
H -6.374591 0.656379 0.000395
H -3.911354 -2.934906 -0.000669


