%chk=000019608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019608

0 1
 O    6.906400      0.7326000      7.4199997E-02
 O    6.976500      -1.545900      0.3949000    
 N   0.7695000     -0.3168000     -0.7182000    
 C   -4.216500      6.4199999E-02  0.1230000    
 C   -5.659900      0.1341000      5.0200000E-02
 C   -1.433400     -7.1500003E-02  0.2618000    
 C   -3.573100      0.1830000       1.354700    
 C   -3.468300     -0.1224000      -1.039500    
 C   -2.181700      0.1153000       1.424200    
 C   -2.076800     -0.1903000     -0.9701000    
 C   -6.420900      -1.029300      0.1653000    
 C   -6.290600       1.364400     -0.1344000    
 C    2.156900     -0.3647000     -0.4995000    
 C   1.7300000E-02 -0.1424000      0.3337000    
 C    4.904600     -0.4603000     -6.7599997E-02
 C   -7.812500     -0.9623000      9.5500000E-02
 C   -7.682000       1.431400     -0.2040000    
 C    2.773400      -1.585000     -0.2400000    
 C    2.904500      0.8082000     -0.5446000    
 C    4.150600      -1.632800     -2.3499999E-02
 C    4.281600      0.7602000     -0.3282000    
 C   -8.443000      0.2679000     -8.9100003E-02
 C    6.340400     -0.5103000      0.1578000    
 C    8.321300      0.8142000      0.2771000    
 C    8.755700       2.258400      0.1462000    
 H   -4.141300      0.3287000       2.270500    
 H   -3.954300     -0.2169000      -2.007900    
 H   -1.694600      0.2095000       2.391400    
 H   -1.520000     -0.3363000      -1.891800    
 H   -5.945500      -1.996700      0.3097000    
 H   -5.712500       2.281100     -0.2259000    
 H   0.4731000     -4.0399998E-02   1.336800    
 H   -8.405000      -1.868100      0.1851000    
 H   -8.173300       2.389300     -0.3478000    
 H    2.193400      -2.503200     -0.2048000    
 H    2.426600       1.762900     -0.7478000    
 H    4.616100      -2.594200      0.1776000    
 H    4.828100       1.698000     -0.3722000    
 H   -9.526400      0.3202000     -0.1434000    
 H    8.567100      0.4413000       1.277500    
 H    8.832200      0.2027000     -0.4747000    
 H    9.834400       2.357600      0.2959000    
 H    8.498200       2.649800     -0.8435000    
 H    8.237500       2.884500      0.8800000    


%chk=000019608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019608

0 1
O 7.182926 0.655432 -0.203041
O 7.017126 -1.068167 1.359703
N 0.780079 0.136802 -0.187910
C -4.378635 0.033985 0.132811
C -5.852038 0.040263 -0.085269
C -1.541940 0.024635 0.545834
C -3.829859 -0.073120 1.441641
C -3.472386 0.136494 -0.965189
C -2.437900 -0.077297 1.645099
C -2.083224 0.132126 -0.766748
C -6.419824 -0.522712 -1.262619
C -6.732367 0.609549 0.877376
C 2.171373 0.032249 0.043302
C -0.092677 0.016539 0.784465
C 4.991867 -0.131208 0.369764
C -7.815262 -0.517641 -1.469606
C -8.127801 0.616198 0.670903
C 2.741916 -0.924038 0.937531
C 3.036545 0.880025 -0.706210
C 4.135717 -1.001500 1.094543
C 4.428506 0.809783 -0.535025
C -8.677503 0.052256 -0.504008
C 6.459256 -0.254399 0.578357
C 8.667304 0.600973 -0.051394
C 9.245045 1.649341 -0.996691
H -4.499898 -0.185700 2.300758
H -3.869520 0.252802 -1.979608
H -2.036394 -0.169554 2.662223
H -1.388024 0.221732 -1.607533
H -5.767793 -0.996314 -2.005138
H -6.319812 1.080150 1.776971
H 0.222941 -0.073290 1.846338
H -8.230615 -0.965779 -2.379110
H -8.785452 1.069403 1.421033
H 2.088737 -1.620929 1.474688
H 2.586688 1.588167 -1.408720
H 4.589027 -1.733116 1.771756
H 5.094122 1.468862 -1.098797
H -9.761115 0.057125 -0.664840
H 8.916356 0.800157 1.006858
H 9.004972 -0.422880 -0.294586
H 10.348001 1.651065 -0.923786
H 8.966696 1.433363 -2.042441
H 8.878639 2.657868 -0.739084


