%chk=000074593.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074593

0 1
 O   0.5894000      -3.513900      0.4219000    
 O    2.566700      -2.117100     -0.6421000    
 N    2.555500      0.1123000      8.9100003E-02
 C   -1.635300     -3.2400001E-02 -0.1509000    
 C   -2.281900      -1.244200      0.1768000    
 C   -3.802900       1.108400     -0.2097000    
 C   -4.449500     -0.1034000      0.1182000    
 C   -2.404200       1.128100     -0.3399000    
 C   -3.680600      -1.263900      0.3072000    
 C  -0.2366000     -1.3400000E-02 -0.2810000    
 C   0.5129000      -1.174400     -9.0400003E-02
 C   -1.512400      -2.404200      0.3655000    
 C  -0.1242000      -2.368200      0.2325000    
 C   -4.572500       2.268300     -0.3987000    
 C   -5.848200     -0.1222000      0.2483000    
 C    1.961000      -1.114500     -0.2335000    
 C    3.924400      0.4713000      2.4700001E-02
 C   -5.960700       2.232500     -0.2658000    
 C   -6.597700       1.038600      5.7399999E-02
 C    4.327800       1.745000      0.3894000    
 C    4.836000     -0.4784000     -0.4073000    
 C    5.680300       2.078900      0.3204000    
 C    3.353400       2.777200      0.8565000    
 C    6.188700     -0.1446000     -0.4763000    
 C    6.610800       1.134100     -0.1124000    
 H   -1.905700       2.064100     -0.5927000    
 H   -4.179800      -2.199400      0.5602000    
 H   0.2342000      0.9227000     -0.5741000    
 H   -1.996300      -3.346000      0.6183000    
 H   -4.095400       3.212900     -0.6520000    
 H   -6.367300      -1.044700      0.5004000    
 H    1.950200      0.8383000      0.4582000    
 H   -6.543600       3.136700     -0.4146000    
 H   -7.678500       1.009900      0.1612000    
 H    4.597300      -1.487100     -0.7067000    
 H    6.026900       3.070300      0.6001000    
 H    2.606300       2.981300      8.2199998E-02
 H    2.852400       2.447400       1.772700    
 H    3.847800       3.728300       1.083800    
 H    1.542200      -3.332700      0.4024000    
 H    6.914500     -0.8792000     -0.8131000    
 H    7.664000       1.393900     -0.1661000    


%chk=000074593-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074593

0 1
O 0.547796 -3.592925 0.096850
O 2.665801 -2.219149 -0.109384
N 2.654604 0.110143 0.085679
C -1.696701 0.012917 -0.024754
C -2.359900 -1.285995 0.089631
C -3.890426 1.154084 -0.037446
C -4.556646 -0.143381 0.081914
C -2.477956 1.196132 -0.088760
C -3.778063 -1.323678 0.141225
C -0.267152 0.047533 -0.068714
C 0.516010 -1.113183 -0.003423
C -1.556997 -2.467896 0.131606
C -0.163058 -2.410217 0.075752
C -4.696790 2.348216 -0.098732
C -5.997917 -0.173979 0.134066
C 2.010986 -1.108117 -0.018598
C 4.051521 0.403656 0.057250
C -6.084428 2.276553 -0.045571
C -6.741177 0.999882 0.072250
C 4.424117 1.780598 0.189300
C 5.043210 -0.600770 -0.095715
C 5.798458 2.106738 0.160258
C 3.378550 2.873391 0.354045
C 6.405971 -0.238042 -0.120786
C 6.792609 1.113734 0.006389
H -1.974855 2.167938 -0.178742
H -4.282080 -2.293957 0.227766
H 0.193321 1.038649 -0.180313
H -2.026549 -3.454013 0.198668
H -4.194029 3.318801 -0.188966
H -6.500187 -1.144538 0.223710
H 2.051831 0.922401 0.220412
H -6.687759 3.189569 -0.093120
H -7.835354 0.961387 0.112627
H 4.733146 -1.641932 -0.189086
H 6.092010 3.158411 0.260045
H 2.695313 2.935562 -0.517644
H 2.761086 2.732550 1.264614
H 3.862971 3.858771 0.449144
H 1.543206 -3.353498 -0.001921
H 7.163918 -1.019965 -0.239110
H 7.850989 1.394219 -0.012318


