%chk=000126722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126722

0 1
 Cl  -3.079400      -1.917600      0.3056000    
 O    8.094200      0.5952000      -1.778500    
 O    4.771300       1.918500       1.773400    
 O    6.015200      0.7529000      -2.674800    
 O    5.937500      -4.420800     -0.1167000    
 O    7.101800      -3.385300       1.532500    
 N    4.840900      0.8028000     -0.2587000    
 N   -2.167900      0.8389000      0.2491000    
 N   -7.668100      0.4316000     -0.3854000    
 N   -7.566200      -1.970600     -0.2267000    
 N   -5.590800      -3.103400      7.9400003E-02
 N   -9.612600     -0.8727000     -0.5368000    
 C    6.258100      0.5418000     -0.2607000    
 C    6.618200     -0.7775000      0.4330000    
 C    6.047300      -2.048000     -0.2099000    
 C   -1.499300       2.122100      0.2520000    
 C  -2.3600001E-02   1.955100      0.3865000    
 C    2.737100       1.645100      0.6393000    
 C    4.207300       1.479700      0.7743000    
 C   -3.534800      0.6878000      9.3599997E-02
 C    6.738400      0.6297000      -1.694700    
 C   0.5622000       1.928400       1.652300    
 C   0.7709000       1.826900     -0.7527000    
 C   -5.550000     -0.6471000     -6.6100001E-02
 C    1.942600       1.773400       1.778600    
 C    2.151300       1.672000     -0.6262000    
 C   -4.156400     -0.5571000      9.5200002E-02
 C   -6.334500      0.5062000     -0.2303000    
 C   -4.300800       1.836800     -6.8000004E-02
 C   -5.686300       1.738900     -0.2279000    
 C    6.420900      -3.321000      0.5184000    
 C   -6.233200      -1.860000     -7.4000001E-02
 C   -8.211400     -0.8025000     -0.3752000    
 H    6.741900       1.364700      0.2812000    
 H    6.280400     -0.7334000       1.476900    
 H    7.711200     -0.8724000      0.4747000    
 H    4.953400      -1.990700     -0.2315000    
 H    6.415700      -2.135100      -1.238000    
 H    4.297500      0.3972000      -1.013600    
 H   -1.865700       2.745600       1.078100    
 H   -1.705000       2.668900     -0.6776000    
 H   -1.616700     -3.7000000E-03  0.3735000    
 H  -4.6300001E-02   2.024300       2.547800    
 H   0.3271000       1.851000      -1.744400    
 H    2.379600       1.749900       2.773300    
 H    2.736200       1.606600      -1.538900    
 H   -3.879000       2.837000     -7.5800002E-02
 H   -6.264000       2.653100     -0.3521000    
 H    8.404800      0.6684000      -2.706100    
 H   -6.186900      -3.922500      7.5199999E-02
 H   -4.658800      -3.213400     -0.2987000    
 H    6.192600      -5.249400      0.3424000    
 H   -10.06830      -1.774700     -0.5354000    
 H   -10.14290     -2.0099999E-02 -0.6512000    


%chk=000126722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126722

0 1
Cl -3.187482 -2.029508 0.357767
O 8.148691 0.583851 -2.090529
O 4.966369 1.599847 1.745715
O 5.975798 0.540300 -2.908970
O 6.253570 -4.315443 0.078861
O 7.520830 -3.107137 1.604553
N 4.904984 0.787877 -0.421837
N -2.266874 0.774300 0.545171
N -7.813581 0.573986 -0.602364
N -7.810440 -1.862814 -0.605118
N -5.964277 -3.172432 -0.213412
N -9.765742 -0.654063 -1.018013
C 6.364185 0.638313 -0.469310
C 6.884110 -0.604315 0.316516
C 6.309918 -1.929642 -0.212072
C -1.546302 2.034903 0.748793
C -0.039075 1.811989 0.731511
C 2.789404 1.440923 0.667687
C 4.287003 1.285938 0.714359
C -3.633543 0.695538 0.278637
C 6.767979 0.587959 -1.938428
C 0.785788 2.368283 1.739882
C 0.567186 1.057528 -0.306242
C -5.692623 -0.678806 -0.156295
C 2.182437 2.185884 1.709294
C 1.964039 0.871780 -0.338161
C -4.303756 -0.543430 0.132301
C -6.458818 0.551716 -0.316361
C -4.434302 1.880015 0.126930
C -5.791399 1.805000 -0.165158
C 6.775933 -3.120870 0.601552
C -6.486311 -1.904912 -0.324701
C -8.416398 -0.629233 -0.732131
H 6.833441 1.526516 -0.001393
H 6.605316 -0.460118 1.373692
H 7.986563 -0.613758 0.267021
H 5.203183 -1.915816 -0.191769
H 6.590979 -2.115292 -1.267382
H 4.406630 0.683542 -1.310435
H -1.837662 2.528699 1.702251
H -1.815214 2.737895 -0.067465
H -1.786039 -0.087223 0.807240
H 0.330890 2.941642 2.556243
H -0.061638 0.615228 -1.086987
H 2.830243 2.600503 2.488339
H 2.390183 0.261519 -1.143310
H -3.966240 2.860035 0.254841
H -6.397110 2.707855 -0.280849
H 8.384336 0.548360 -3.057137
H -6.617138 -3.942011 -0.351155
H -4.984582 -3.345427 -0.005019
H 6.571311 -5.080341 0.631797
H -10.234887 -1.548961 -1.117876
H -10.263170 0.225333 -1.121372


