%chk=000094675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094675

0 1
 O  -0.2152000     -0.3587000      -1.084900    
 O    3.626200       2.668700      0.1292000    
 O    1.466000       2.258500      7.2899997E-02
 N    2.122000     -0.5096000      0.3717000    
 N    3.998100      1.7000000E-03 -0.6729000    
 N   -1.527000     -0.1188000      0.8515000    
 N    2.663400       1.854200      4.4000000E-02
 N   -3.818800      0.1257000       1.252600    
 N   -2.967300     -8.7800004E-02 -0.9916000    
 C   0.8533000     -0.3332000       1.072500    
 C    2.697600      -1.701100      6.6299997E-02
 C    2.926400      0.4855000     -8.5100003E-02
 C    3.861300      -1.360800     -0.5825000    
 C  -0.3369000     -0.2757000      0.1329000    
 C    2.113000      -3.010300      0.4040000    
 C   -2.833400     -2.2399999E-02  0.3467000    
 C   -5.060900      0.2148000      0.7333000    
 C   -4.235500      7.7999998E-03  -1.442100    
 C   -5.332200      0.1614000     -0.6185000    
 H   0.9072000      0.5595000       1.702100    
 H   0.7264000      -1.183200       1.752400    
 H    4.609400      -2.025700     -0.9897000    
 H    1.090800      -3.098800      2.2600001E-02
 H    2.699700      -3.823600     -3.6300000E-02
 H    2.097200      -3.163400       1.487700    
 H   -1.465400     -6.5300003E-02   1.865400    
 H   -5.859000      0.3340000       1.458300    
 H   -4.349800     -4.4399999E-02  -2.519500    
 H   -6.338800      0.2353000      -1.007500    


%chk=000094675-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094675

0 1
O -0.877487 -2.532695 0.605203
O 2.446110 2.955895 0.836661
O 0.698144 1.736897 1.667424
N 1.865987 -0.635173 0.585273
N 3.255167 0.703077 -0.650065
N -1.248776 -0.190871 0.750550
N 1.806431 1.853618 0.962887
N -2.908290 1.323177 0.182165
N -3.224636 -1.053147 -0.316496
C 0.872648 -1.122270 1.569241
C 2.591313 -1.475920 -0.268295
C 2.306218 0.674953 0.309320
C 3.431938 -0.618921 -1.014236
C -0.523100 -1.367916 0.920695
C 2.445290 -2.966455 -0.292256
C -2.517750 0.004086 0.175155
C -4.129734 1.585731 -0.356033
C -4.445599 -0.748765 -0.847299
C -4.954973 0.567962 -0.892057
H 0.809129 -0.399406 2.395288
H 1.214110 -2.096464 1.950101
H 4.139909 -0.900116 -1.790375
H 1.389656 -3.277872 -0.379662
H 3.004833 -3.373696 -1.149355
H 2.854824 -3.433713 0.624619
H -0.793952 0.684142 1.070676
H -4.440607 2.635895 -0.351616
H -5.013928 -1.598115 -1.241871
H -5.935074 0.790383 -1.320143