%chk=000044409.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044409

0 1
 Cl -0.3235000       2.232500     -0.6748000    
 O   -1.122400      -1.478300      0.2147000    
 O    4.310000      -1.209800     -0.2794000    
 N    3.982800       1.394600      0.1520000    
 C    2.150000     -0.1647000     -0.3386000    
 C   0.7573000     -0.2950000     -0.1984000    
 C    2.809400       1.135700     -0.6802000    
 C   0.2357000      -1.544400      0.1209000    
 C  -0.3602000      0.5747000     -0.3023000    
 C    2.953700      -1.297500     -0.1510000    
 C   -1.473200     -0.1914000     -4.3200001E-02
 C    1.008500      -2.688200      0.3132000    
 C    2.390700      -2.535600      0.1690000    
 C   -2.884700      7.3200002E-02  1.0800000E-02
 C    3.606600       1.448200       1.564600    
 C    4.631300       2.642000     -0.2513000    
 C   -3.350200       1.335800      0.3879000    
 C   -3.800400     -0.9320000     -0.3126000    
 C   -4.720400       1.591500      0.4411000    
 C   -5.170500     -0.6765000     -0.2596000    
 C   -5.630600      0.5853000      0.1174000    
 H    3.104800       1.081700      -1.736900    
 H    2.141400       1.987500     -0.5922000    
 H   0.5644000      -3.644800      0.5612000    
 H    3.033400      -3.401800      0.3102000    
 H    3.242100      0.4907000       1.948800    
 H    2.844000       2.211700       1.760000    
 H    4.483300       1.690500       2.177500    
 H    4.942300       2.592300      -1.300800    
 H    5.541200       2.809300      0.3360000    
 H    3.975900       3.511600     -0.1259000    
 H   -2.680600       2.135000      0.6878000    
 H   -3.471400      -1.922700     -0.6174000    
 H    4.567900     -0.3648000     -0.6791000    
 H   -5.079400       2.570900      0.7437000    
 H   -5.879500      -1.459200     -0.5130000    
 H   -6.697500      0.7837000      0.1605000    


%chk=000044409-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044409

0 1
Cl -0.441631 2.438614 -0.247558
O -1.221587 -1.513815 -0.014799
O 4.318323 -1.106142 -0.304077
N 4.130713 1.380275 0.236523
C 2.122573 -0.031421 -0.263500
C 0.712911 -0.214532 -0.173696
C 2.800887 1.315512 -0.476938
C 0.187998 -1.537732 -0.084467
C -0.466993 0.633561 -0.158639
C 2.935830 -1.208713 -0.240874
C -1.619808 -0.147092 -0.062900
C 0.974330 -2.696859 -0.078237
C 2.367113 -2.515026 -0.151967
C -3.064137 0.083017 -0.002460
C 3.962675 1.472915 1.713762
C 4.988792 2.469281 -0.295504
C -3.637893 1.386748 -0.047183
C -3.936407 -1.041461 0.104112
C -5.036747 1.553381 0.012885
C -5.331959 -0.865428 0.163591
C -5.892951 0.432955 0.118504
H 3.022039 1.446472 -1.555701
H 2.151691 2.156842 -0.167598
H 0.522857 -3.690575 -0.015749
H 3.052209 -3.367294 -0.146357
H 3.325862 0.642650 2.060838
H 3.492160 2.433277 2.016812
H 4.948403 1.386900 2.201798
H 5.168938 2.307094 -1.372022
H 5.961118 2.459106 0.225819
H 4.526670 3.471872 -0.158797
H -2.996014 2.266638 -0.129219
H -3.505633 -2.045788 0.139057
H 4.531930 -0.074421 -0.110986
H -5.458843 2.563805 -0.023484
H -5.984239 -1.741931 0.244987
H -6.978978 0.569015 0.164623


