%chk=000019831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019831

0 1
 O    5.534700      0.4327000      0.6231000    
 O   -1.168400      6.5800004E-02  -1.912000    
 N    2.821500      0.1029000     -0.1717000    
 C    1.392200     -6.2000002E-03  0.1126000    
 C    3.567900     -0.9810000      0.4822000    
 C    3.341900       1.406400      0.2637000    
 C   0.8478000      -1.334200     -0.4177000    
 C    5.057400     -0.8390000      0.1821000    
 C    4.836500       1.492100     -3.2400001E-02
 C  -0.6505000      -1.497100     -0.1474000    
 C   -1.508500     -0.4568000     -0.8532000    
 C   -2.815900     -7.7699997E-02 -0.2452000    
 C   -3.496900      -1.017300      0.4960000    
 C   -3.293500       1.197900     -0.4467000    
 C   -4.720000     -0.6628000       1.065200    
 C   -4.516600       1.552400      0.1226000    
 C   -5.229800      0.6220000      0.8786000    
 H    1.194000      7.5000003E-02   1.189300    
 H   0.8681000      0.8232000     -0.3756000    
 H    3.286600      -1.968500      0.1087000    
 H    3.407700     -0.9589000       1.567900    
 H    3.175300       1.542300       1.340300    
 H    2.828500       2.217700     -0.2649000    
 H    1.042000      -1.416600      -1.494500    
 H    1.320600      -2.192900      6.7699999E-02
 H    5.621600      -1.609000      0.7183000    
 H    5.268700     -0.9580000     -0.8878000    
 H    5.038800       1.452500      -1.109700    
 H    5.237500       2.438200      0.3450000    
 H  -0.8150000      -1.439300      0.9345000    
 H  -0.9743000      -2.485000     -0.4944000    
 H   -3.130700      -2.028100      0.6422000    
 H   -2.746100       1.933400      -1.028200    
 H   -5.277500      -1.388200       1.650800    
 H   -4.913300       2.553200     -2.1500001E-02
 H   -6.182400      0.8979000       1.321400    


%chk=000019831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019831

0 1
O 5.894491 0.237320 0.418061
O -1.031839 0.948484 -1.240194
N 3.026968 0.030412 -0.040820
C 1.584746 0.008499 0.303420
C 3.794571 -1.082167 0.574204
C 3.667493 1.330107 0.289923
C 0.803106 -1.076233 -0.469406
C 5.254361 -1.047874 0.092260
C 5.126293 1.336235 -0.193704
C -0.678852 -1.155165 -0.050239
C -1.528289 0.034793 -0.516684
C -2.977463 0.090240 -0.111586
C -3.589618 -0.914825 0.686002
C -3.758956 1.194161 -0.550354
C -4.953281 -0.816017 1.036344
C -5.119581 1.292844 -0.200293
C -5.720991 0.287031 0.595218
H 1.431154 -0.134316 1.406719
H 1.158303 0.991419 0.036728
H 3.343167 -2.048858 0.284480
H 3.776535 -1.016272 1.693310
H 3.650365 1.530417 1.391948
H 3.109541 2.141413 -0.214310
H 0.878346 -0.849776 -1.547785
H 1.265554 -2.068611 -0.305192
H 5.860624 -1.815859 0.601065
H 5.284023 -1.213079 -1.006552
H 5.150054 1.236950 -1.300432
H 5.644276 2.261611 0.108485
H -0.763457 -1.244529 1.052939
H -1.141942 -2.076401 -0.460599
H -3.009569 -1.775483 1.034868
H -3.270047 1.957529 -1.164876
H -5.417734 -1.594956 1.650854
H -5.713030 2.147380 -0.543225
H -6.779418 0.362576 0.868723


