%chk=000096863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096863

0 1
 O    1.836800       2.187700     -0.4859000    
 O   -1.853800       1.286600      -1.504900    
 O   -1.569300       3.540800       1.679300    
 N  -3.5999999E-03  0.7058000     -0.1190000    
 C  -0.4245000       2.084900      0.1709000    
 C    1.305500      0.8816000     -0.7825000    
 C   -1.037200      0.1941000      -1.043900    
 C   0.8859000       2.826500      0.3717000    
 C   -1.181700       2.481900      -1.091200    
 C   -1.306000       2.175800       1.417100    
 C    2.292700     -0.1837000     -0.3598000    
 C   -1.875100     -0.8958000     -0.3943000    
 C    3.114000      2.8800000E-02  0.7466000    
 C   -3.205700      -1.072600     -0.7744000    
 C    2.379300      -1.376000      -1.076700    
 C   -1.313500      -1.719500      0.5815000    
 C    4.024200     -0.9535000       1.136700    
 C   -3.974400      -2.072500     -0.1787000    
 C    3.289500      -2.358300     -0.6864000    
 C   -2.082300      -2.719500       1.177000    
 C    4.111900      -2.147000      0.4203000    
 C   -3.412800      -2.896000      0.7968000    
 H    1.225200      0.8685000      -1.877600    
 H  -0.5934000     -0.2703000      -1.934200    
 H   0.8252000       3.886700      0.1072000    
 H    1.262600       2.742900       1.397500    
 H   -1.923300       3.270200     -0.9326000    
 H  -0.5202000       2.795300      -1.907500    
 H  -0.8035000       1.745400       2.290900    
 H   -2.261100       1.656900       1.283100    
 H   -2.125300       3.578400       2.476000    
 H    3.060300      0.9437000       1.329000    
 H   -3.662700     -0.4504000      -1.538800    
 H    1.743400      -1.553200      -1.939700    
 H  -0.2777000      -1.621300      0.8922000    
 H    4.662900     -0.7904000       1.999800    
 H   -5.009600      -2.211700     -0.4762000    
 H    3.357400      -3.288100      -1.243700    
 H   -1.644300      -3.363300       1.934300    
 H    4.820000      -2.912200      0.7246000    
 H   -4.010900      -3.675600       1.259500    


%chk=000096863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096863

0 1
O 1.537163 2.075198 -1.127890
O -1.696024 1.471910 -1.704777
O -0.882560 2.636944 2.415403
N 0.005167 0.377552 -0.467066
C -0.339219 1.636903 0.310642
C 1.340197 0.604933 -1.092053
C -1.123375 0.133199 -1.391350
C 0.925188 2.532862 0.134880
C -1.611273 2.199314 -0.420868
C -0.615674 1.329798 1.786057
C 2.485139 -0.074932 -0.328258
C -2.202937 -0.787734 -0.806682
C 3.779649 0.502554 -0.350312
C -3.521252 -0.715006 -1.324096
C 2.290333 -1.307002 0.340645
C -1.905799 -1.746168 0.191403
C 4.858891 -0.138611 0.297606
C -4.525092 -1.586496 -0.847551
C 3.370736 -1.952146 0.984526
C -2.909861 -2.619908 0.668543
C 4.658680 -1.369029 0.966349
C -4.222555 -2.543933 0.149663
H 1.333131 0.276645 -2.148106
H -0.757465 -0.269669 -2.353104
H 0.694686 3.600402 0.020654
H 1.626839 2.388966 0.980902
H -2.519513 2.017873 0.186452
H -1.532955 3.268099 -0.665034
H 0.271071 0.838946 2.237249
H -1.490566 0.654944 1.875758
H -1.116015 2.508507 3.367786
H 3.922376 1.458059 -0.865995
H -3.750256 0.038670 -2.085099
H 1.289179 -1.748272 0.357975
H -0.888946 -1.791585 0.593013
H 5.854109 0.320036 0.280668
H -5.541641 -1.518775 -1.251412
H 3.208175 -2.905784 1.499952
H -2.668036 -3.357212 1.442772
H 5.496707 -1.867192 1.467000
H -5.001501 -3.221259 0.517755


