%chk=000038699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038699

0 1
 O   0.5176000     -0.4576000      -1.597900    
 O   4.1400000E-02  -1.565900       1.781600    
 O   -5.355900      0.6915000     -0.4664000    
 N    3.053200     -0.2777000     -0.4072000    
 N   0.7800000     -0.9908000     -0.3277000    
 C    2.783000      0.7974000      0.5577000    
 C    4.457800     -0.7058000     -0.3459000    
 C    3.673800       2.012300      0.2940000    
 C    5.403500      0.4601000     -0.6394000    
 C    5.149700       1.630500      0.3037000    
 C    2.161600      -1.412800     -0.1712000    
 C  -0.1668000      -1.101900      0.6617000    
 C   -1.533800     -0.6298000      0.3651000    
 C   -2.451700      -1.514100     -0.1741000    
 C   -1.866400      0.6867000      0.6327000    
 C   -3.743100      -1.067700     -0.4547000    
 C   -3.157900       1.133100      0.3522000    
 C   -4.096300      0.2559000     -0.1915000    
 C   -5.649700       2.056500     -0.1725000    
 H    2.940200      0.4452000       1.586100    
 H    1.747800       1.149900      0.4932000    
 H    4.639800      -1.488700      -1.092100    
 H    4.693800      -1.132000      0.6381000    
 H    3.487000       2.780400       1.053000    
 H    3.416200       2.453000     -0.6775000    
 H    5.268000      0.7907000      -1.677000    
 H    6.443000      0.1268000     -0.5434000    
 H    5.762700       2.489800      1.0800000E-02
 H    5.449100       1.352100       1.321600    
 H    2.313500      -1.853000      0.8213000    
 H    2.334000      -2.194400     -0.9206000    
 H   0.7731000      0.4701000      -1.461300    
 H   -2.183500      -2.546000     -0.3819000    
 H   -1.139400       1.374500       1.055400    
 H   -4.469600      -1.755600     -0.8786000    
 H   -3.364500       2.173100      0.5808000    
 H   -5.039600       2.738000     -0.7749000    
 H   -5.567900       2.263800      0.8998000    
 H   -6.693800       2.230000     -0.4529000    


%chk=000038699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038699

0 1
O 0.919745 -0.630077 -1.223631
O -0.166734 -0.825189 2.252463
O -5.333403 1.118277 -1.087427
N 3.104937 -0.383514 0.088933
N 0.807631 -0.977345 0.185391
C 3.212353 0.932961 0.788959
C 4.434655 -0.981948 -0.215276
C 4.017557 1.934959 -0.060684
C 5.272024 -0.022210 -1.084875
C 5.410992 1.362233 -0.409088
C 2.139088 -1.311477 0.739527
C -0.287925 -0.653452 0.985758
C -1.572816 -0.187036 0.376204
C -1.886803 -0.187599 -1.013934
C -2.562296 0.256797 1.292896
C -3.145846 0.248267 -1.459719
C -3.823871 0.703550 0.857094
C -4.117057 0.700409 -0.531286
C -6.376239 1.584465 -0.169278
H 3.706555 0.797814 1.779629
H 2.189490 1.306635 0.974438
H 4.269766 -1.938920 -0.743634
H 4.988589 -1.206189 0.727441
H 4.113235 2.886830 0.494732
H 3.458791 2.152007 -0.992286
H 4.778363 0.092952 -2.069870
H 6.267458 -0.470778 -1.264160
H 5.960965 2.058079 -1.069606
H 6.008726 1.259211 0.520179
H 2.066535 -1.215187 1.837707
H 2.412749 -2.347515 0.467434
H 1.910561 -0.295247 -1.186528
H -1.144123 -0.528778 -1.736521
H -2.315727 0.232467 2.359500
H -3.400593 0.248165 -2.523949
H -4.560048 1.041682 1.592384
H -6.041326 2.471441 0.402757
H -6.681324 0.784060 0.532265
H -7.224733 1.856796 -0.813839


