%chk=000034319.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034319

0 1
 O   -2.260600      -1.358900       1.285200    
 N    1.397400      -1.902700     -0.6152000    
 N   -3.782000      0.7434000      3.6400001E-02
 C  -0.2495000     -0.6650000      0.2111000    
 C   -1.582800     -0.2410000      0.6846000    
 C   0.9329000      0.1264000      0.1873000    
 C    1.951200     -0.6737000     -0.3354000    
 C   -2.469800      0.3238000     -0.4502000    
 C   6.8000004E-02  -1.907100     -0.2884000    
 C    1.235500       1.450800      0.5615000    
 C    3.262200     -0.2138000     -0.5033000    
 C    2.542500       1.924400      0.3991000    
 C    3.538700       1.103200     -0.1252000    
 C   -4.583900       1.290200      -1.047700    
 H   -1.475700      0.5109000       1.475200    
 H   -2.607600     -0.4508000      -1.216100    
 H   -1.953400       1.169300     -0.9225000    
 H  -0.5277000      -2.795600     -0.4453000    
 H    1.900300      -2.687400      -1.005900    
 H   0.4709000       2.105000      0.9705000    
 H    4.038400     -0.8524000     -0.9114000    
 H   -3.665300       1.450400      0.7617000    
 H    2.781600       2.945100      0.6856000    
 H    4.547200       1.491600     -0.2426000    
 H   -2.571500      -1.943600      0.5730000    
 H   -4.754700      0.5446000      -1.831000    
 H   -4.113600       2.174200      -1.490700    
 H   -5.563100       1.589600     -0.6611000    


%chk=000034319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034319

0 1
O -2.433513 -1.524091 0.801178
N 1.510676 -2.011610 -0.561364
N -3.733985 0.722955 0.030209
C -0.218236 -0.738505 0.211258
C -1.597195 -0.330353 0.650545
C 0.971905 0.092766 0.151871
C 2.044823 -0.736600 -0.341094
C -2.306651 0.610826 -0.368756
C 0.147702 -2.008674 -0.224599
C 1.249717 1.449872 0.471303
C 3.357216 -0.248120 -0.523027
C 2.557807 1.941480 0.294582
C 3.600706 1.102556 -0.199605
C -4.665638 1.146556 -1.038399
H -1.531055 0.205024 1.628828
H -2.272659 0.133740 -1.365186
H -1.777133 1.586803 -0.439950
H -0.472343 -2.898417 -0.291040
H 2.032018 -2.820537 -0.890582
H 0.461869 2.108142 0.856197
H 4.162401 -0.889669 -0.899045
H -3.843226 1.295002 0.879759
H 2.784537 2.985011 0.540689
H 4.607912 1.514801 -0.327445
H -3.364994 -1.163563 0.665792
H -4.643097 0.403539 -1.855224
H -4.428994 2.142633 -1.477563
H -5.694970 1.179335 -0.640131


