%chk=000159236.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159236

0 1
 O    6.471500       1.499000     -0.4040000    
 O    7.181000     -0.4303000      0.5500000    
 N   -1.206400      0.6308000      0.4310000    
 N    5.029700      -1.830300     -0.1350000    
 N   -5.906800      0.9230000     -0.4368000    
 N   -6.726100      -1.120000     -0.1415000    
 C    2.426600     -0.2623000     -0.2787000    
 C    1.239100      0.5024000      0.3116000    
 C    3.790500      0.2941000      0.1516000    
 C  -8.7099999E-02 -0.1140000     -0.1333000    
 C    4.998400     -0.4086000     -0.4810000    
 C   -2.476700      4.7600001E-02  2.2900000E-02
 C   -3.653700      0.8214000      0.6199000    
 C   -4.973700      0.2094000      0.2203000    
 C    6.322300      0.1958000     -6.0899999E-02
 C   -5.468700      -1.032800      0.4017000    
 C   -6.959900      7.4600004E-02 -0.6379000    
 H    2.352000      -1.315100      1.9200001E-02
 H    2.361900     -0.2369000      -1.373700    
 H    1.290400       1.551700     -4.9999999E-03
 H    1.306500      0.4912000       1.406700    
 H    3.826600       1.361300     -0.1028000    
 H    3.869100      0.2473000       1.246200    
 H  -0.1262000      -1.158400      0.1991000    
 H  -0.1416000     -0.1071000      -1.228800    
 H    4.939700     -0.3323000      -1.573000    
 H   -1.160600       1.604100      0.1309000    
 H   -2.560400      4.8500001E-02  -1.071700    
 H   -2.523100     -0.9979000      0.3529000    
 H   -3.588800      0.8203000       1.715600    
 H   -3.614100       1.870000      0.2978000    
 H    5.847600      -2.272700     -0.5518000    
 H    5.118600      -1.941700      0.8742000    
 H   -5.852600       1.890400     -0.7286000    
 H   -5.010400      -1.880900      0.8890000    
 H   -7.859500      0.3870000      -1.148900    
 H    7.335100       1.859000     -0.1093000    


%chk=000159236-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159236

0 1
O 6.570373 1.503916 -0.668570
O 7.112879 -0.085375 0.938423
N -1.213912 0.472331 0.439505
N 5.067177 -1.839664 -0.158701
N -5.632091 0.604278 -0.808385
N -7.166896 -0.701601 0.212941
C 2.505753 -0.182457 -0.412781
C 1.273772 0.378989 0.330366
C 3.836224 0.297281 0.202795
C -0.056267 -0.073425 -0.303034
C 5.067326 -0.401392 -0.450101
C -2.534670 0.073625 -0.080130
C -3.663031 0.614922 0.835861
C -5.043852 0.204114 0.406684
C 6.348155 0.306727 0.029566
C -6.015375 -0.599049 1.014434
C -6.903090 0.036463 -0.881105
H 2.491290 -1.288667 -0.396664
H 2.467649 0.123500 -1.479540
H 1.317586 1.489796 0.337473
H 1.286566 0.055199 1.389244
H 3.938808 1.392961 0.082380
H 3.846475 0.084347 1.291481
H -0.120770 -1.179294 -0.268856
H -0.063581 0.212608 -1.386899
H 4.999139 -0.256807 -1.544172
H -1.140418 1.494741 0.548091
H -2.712041 0.413005 -1.135551
H -2.583934 -1.031847 -0.096448
H -3.482075 0.240495 1.857971
H -3.582458 1.722203 0.888200
H 5.690350 -2.386834 -0.761742
H 5.246347 -2.039743 0.832636
H -5.194547 1.200486 -1.509895
H -5.954707 -1.106174 1.975060
H -7.576191 0.184802 -1.722279
H 7.384239 1.953141 -0.310363


