%chk=000127335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127335

0 1
 Cl   3.504700      -4.675100      0.4312000    
 O   -1.383400     -0.2879000     -0.2972000    
 O    1.858400      -2.534800       1.433200    
 O  -0.1198000      -1.426000      -1.840800    
 N   0.8363000     -0.4442000      3.2099999E-02
 N    4.934900       4.876300      0.3708000    
 C    3.198100      0.1754000      0.4038000    
 C    2.206300     -0.8123000     -0.2128000    
 C    3.072500       1.578000     -0.2005000    
 C    4.094400       2.574700      0.3570000    
 C    2.407700      -2.201600      0.3830000    
 C    3.918300       3.991500     -0.1885000    
 C    3.353600      -3.107500     -0.3765000    
 C  -0.2131000     -0.7812000     -0.8015000    
 C   -2.560000     -0.5647000      -1.065000    
 C   -3.747600      4.2300001E-02 -0.3775000    
 C   -4.463400     -0.6990000      0.5627000    
 C   -4.135700       1.348000     -0.6783000    
 C   -5.567200     -0.1348000       1.202000    
 C   -5.239600       1.912200     -3.8699999E-02
 C   -5.955300       1.170800      0.9014000    
 H    4.221400     -0.1914000      0.2552000    
 H    3.044800      0.2346000       1.489300    
 H    2.353800     -0.8777000      -1.297200    
 H    2.064700       1.968800     -1.4600000E-02
 H    3.192800       1.516400      -1.289200    
 H    4.010100       2.593600       1.451300    
 H    5.104700       2.213700      0.1246000    
 H    4.007800       3.987000      -1.279900    
 H    2.923000       4.373000      6.4300001E-02
 H   0.6140000      5.0099999E-02  0.8913000    
 H    4.344500      -2.649900     -0.4242000    
 H    2.965800      -3.278500      -1.383700    
 H    4.774700       5.826400      3.8899999E-02
 H    4.841200       4.908700       1.385200    
 H   -2.692400      -1.649600      -1.161600    
 H   -2.451300     -0.1455000      -2.073100    
 H   -4.169500      -1.716400      0.8071000    
 H   -3.584900       1.936300      -1.407300    
 H   -6.124200     -0.7117000       1.934500    
 H   -5.541500       2.929000     -0.2722000    
 H   -6.814500       1.610300       1.399500    


%chk=000127335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127335

0 1
Cl 2.535263 -5.022449 0.209333
O -1.259943 -0.365953 -0.204376
O 3.006677 -2.353387 1.661233
O 0.129954 -1.329515 -1.854400
N 0.982317 -0.473249 0.159285
N 4.879122 5.091789 0.460944
C 3.346019 0.284314 0.458487
C 2.397082 -0.779639 -0.129204
C 3.135167 1.691732 -0.140625
C 4.118755 2.728375 0.446016
C 2.685505 -2.197111 0.462363
C 3.904779 4.146945 -0.120696
C 2.487017 -3.321815 -0.546103
C -0.027408 -0.773020 -0.731369
C -2.450436 -0.686168 -1.068644
C -3.659490 -0.059645 -0.421350
C -4.382550 -0.757588 0.578888
C -4.089126 1.235812 -0.804095
C -5.511718 -0.169556 1.190163
C -5.219264 1.826626 -0.196323
C -5.932561 1.124421 0.802993
H 4.386446 -0.046452 0.270918
H 3.230484 0.304609 1.560067
H 2.488963 -0.817181 -1.230409
H 2.092579 2.023215 0.038723
H 3.261999 1.646621 -1.242277
H 4.006330 2.756575 1.551098
H 5.165047 2.428851 0.243393
H 4.064868 4.123849 -1.216294
H 2.836173 4.438137 0.040623
H 0.727938 -0.110110 1.080032
H 3.294172 -3.282508 -1.300171
H 1.522696 -3.203273 -1.070252
H 4.917912 6.004601 -0.002139
H 4.809719 5.183020 1.479788
H -2.528424 -1.786144 -1.133672
H -2.253983 -0.287332 -2.078883
H -4.057783 -1.761047 0.879520
H -3.536067 1.781288 -1.578383
H -6.063698 -0.717601 1.961629
H -5.544377 2.827370 -0.501403
H -6.811055 1.579894 1.273671


