%chk=000131058.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131058

0 1
 O   -3.459500     -0.1245000       1.794700    
 O   -4.588300      0.4926000     -0.6693000    
 N    2.872000      -1.695000     -0.2897000    
 N    5.037600     -0.8218000      9.6000001E-02
 N    4.660200       2.691200      0.7081000    
 C   0.9441000     -0.2379000     -0.2178000    
 C  -0.4859000     -4.9699999E-02 -0.3306000    
 C    1.541300      -1.476700     -0.3865000    
 C   -1.297800     -0.1783000      0.7964000    
 C   -1.052900      0.2605000      -1.566800    
 C    1.765600      0.8468000      6.8499997E-02
 C   -2.676400      3.3000000E-03  0.6873000    
 C   -3.243300      0.3135000     -0.5488000    
 C   -2.431600      0.4420000      -1.675900    
 C    3.139600      0.6621000      0.1758000    
 C   0.7187000      -2.686200     -0.6961000    
 C    3.638500     -0.6170000     -1.0400000E-02
 C    3.979200       1.782400      0.4698000    
 C   -3.975900      -1.423600       2.076800    
 C   -5.085300       1.816200     -0.4815000    
 H  -0.8647000     -0.4195000       1.765000    
 H  -0.4346000      0.3638000      -2.455300    
 H    1.335700       1.837300      0.2080000    
 H   -2.866600      0.6824000      -2.642200    
 H   2.2000000E-03  -2.887600      0.1063000    
 H   0.1845000      -2.563600      -1.643500    
 H    1.354900      -3.572900     -0.7940000    
 H    5.365800      -1.768400     -5.3300001E-02
 H    5.566600     -0.2399000      0.7335000    
 H   -3.159100      -2.132100       2.247900    
 H   -4.610500      -1.772700       1.256200    
 H   -4.581400      -1.361800       2.985200    
 H   -4.663400       2.494000      -1.230400    
 H   -4.852100       2.176200      0.5255000    
 H   -6.171900       1.794300     -0.6020000    


%chk=000131058-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131058

0 1
O -3.351905 0.542082 1.883708
O -4.710115 0.190459 -0.696878
N 3.136978 -1.524972 -0.671656
N 5.184313 -0.660985 0.041560
N 4.538689 2.387564 1.859713
C 1.007080 -0.380368 -0.247974
C -0.476782 -0.277192 -0.362466
C 1.778484 -1.466454 -0.789110
C -1.252197 0.057932 0.780156
C -1.155115 -0.468299 -1.597527
C 1.718576 0.623522 0.453308
C -2.651312 0.204292 0.701683
C -3.311568 0.052272 -0.552599
C -2.552046 -0.302092 -1.688266
C 3.124765 0.572967 0.589446
C 1.159213 -2.650500 -1.502374
C 3.815009 -0.537332 -0.016722
C 3.865441 1.576819 1.287813
C -4.327049 -0.479269 2.335075
C -5.241532 1.537655 -0.377338
H -0.783298 0.175997 1.763086
H -0.584849 -0.705753 -2.500943
H 1.175032 1.469894 0.884924
H -3.075887 -0.420522 -2.642061
H 0.137018 -2.859343 -1.147848
H 1.105380 -2.470572 -2.593370
H 1.798992 -3.534151 -1.350336
H 5.609089 -1.472621 -0.401650
H 5.762835 0.029075 0.515686
H -3.799160 -1.414738 2.600452
H -5.079594 -0.683666 1.552181
H -4.804679 -0.051661 3.229517
H -4.838245 2.281048 -1.090547
H -4.983895 1.832440 0.655553
H -6.332366 1.455869 -0.497294


