%chk=000227087.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227087

0 1
 O    2.627700       1.001500     -4.9800001E-02
 O   -2.627700      -1.001300     -4.9699999E-02
 O   0.4180000       2.623900     -4.5000002E-02
 O  -0.4179000      -2.624000     -4.5200001E-02
 N    2.177900      -1.791700     -4.8999999E-02
 N   -2.177800       1.791500     -4.9400002E-02
 C    2.232500      -2.725000      -1.171900    
 C    3.239500      -1.632100      -1.039900    
 C   -2.232800       2.724500      -1.172400    
 C   -3.239700       1.631500      -1.040000    
 C    1.173300     -0.8662000     -4.7699999E-02
 C   -1.173200      0.8661000     -4.8000000E-02
 C    1.353200      0.4639000     -4.8000000E-02
 C   -1.353000     -0.4640000     -4.8099998E-02
 C   0.2128000       1.412000     -4.6500001E-02
 C  -0.2127000      -1.412000     -4.6500001E-02
 C    3.088700       1.195300       1.271800    
 C   -3.088600      -1.194700       1.272000    
 C    4.488700       1.769500       1.226400    
 C   -4.488800      -1.768500       1.226900    
 H    1.477700      -2.624500      -1.938900    
 H    2.514100      -3.725000     -0.8770000    
 H    4.218200      -1.875200     -0.6533000    
 H    3.171200     -0.8168000      -1.745700    
 H   -1.478000       2.624000      -1.939400    
 H   -2.514400       3.724400     -0.8777000    
 H   -4.218200       1.874700     -0.6533000    
 H   -3.171400      0.8162000      -1.745700    
 H    2.434200       1.892800       1.808900    
 H    3.113000      0.2462000       1.821200    
 H   -2.434300      -1.892400       1.809200    
 H   -3.112600     -0.2454000       1.821200    
 H    4.877100       1.934500       2.235400    
 H    5.165500       1.093100      0.6939000    
 H    4.498100       2.721100      0.6846000    
 H   -4.877100      -1.933100       2.235900    
 H   -5.165400      -1.091900      0.6942000    
 H   -4.498500      -2.720200      0.6852000    


%chk=000227087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227087

0 1
O 2.752023 0.811075 -0.050360
O -2.751953 -0.811084 -0.050183
O 0.565414 2.683355 -0.179696
O -0.565247 -2.683406 -0.179831
N 2.070511 -1.903268 0.128390
N -2.070384 1.903225 0.128055
C 2.273041 -3.169464 -0.604339
C 3.366817 -2.087000 -0.557430
C -2.273011 3.169243 -0.604955
C -3.366768 2.086776 -0.557665
C 1.101260 -0.933197 0.009072
C -1.101149 0.933125 0.008849
C 1.399627 0.430287 0.009231
C -1.399531 -0.430355 0.009357
C 0.334036 1.427883 -0.059147
C -0.333927 -1.427986 -0.058625
C 3.216505 1.844680 0.925679
C -3.216702 -1.844144 0.926313
C 4.714216 2.015201 0.690232
C -4.714406 -2.014572 0.690745
H 1.709876 -3.309705 -1.532510
H 2.369900 -4.065378 0.016355
H 4.234974 -2.224744 0.094902
H 3.547633 -1.483000 -1.452475
H -1.709942 3.309266 -1.533217
H -2.369816 4.065306 0.015533
H -4.234854 2.224664 0.094732
H -3.547677 1.482560 -1.452546
H 2.657855 2.778485 0.744545
H 3.002262 1.478910 1.950196
H -2.658154 -2.778113 0.745744
H -3.002558 -1.477876 1.950673
H 5.122581 2.767802 1.389595
H 5.251753 1.063420 0.846877
H 4.905384 2.359759 -0.340663
H -5.122972 -2.766753 1.390443
H -5.251835 -1.062636 0.846821
H -4.905479 -2.359642 -0.339997


