%chk=000176704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176704

0 1
 O   -3.935000      0.4022000     -0.6213000    
 O   -3.124100     -0.2778000       1.426500    
 N  -0.5956000     -0.4305000      0.4565000    
 N    3.035800     -0.9537000      1.7800000E-02
 C   0.7466000     -0.1512000      0.2661000    
 C   -1.631500     -6.2100001E-02 -0.4839000    
 C    1.214800       1.164400      0.1284000    
 C    1.712300      -1.160300      0.2008000    
 C    2.568900       1.417200     -6.1000001E-02
 C   -1.667600      -1.080200      -1.612900    
 C    3.430600      0.3332000     -0.1085000    
 C   0.2646000       2.315800      0.1827000    
 C   -2.959300     -7.1999999E-03  0.2440000    
 C    1.297400      -2.589400      0.3394000    
 C    4.890600      0.5666000     -0.3108000    
 C   -5.248400      0.5130000     -6.3800000E-02
 H   -1.474700      0.9281000     -0.9135000    
 H  -0.7920000      -1.265500       1.000800    
 H    2.941700       2.430700     -0.1710000    
 H   -1.889400      -2.085200      -1.235200    
 H   -2.438400     -0.8319000      -2.350200    
 H  -0.7087000      -1.125100      -2.140500    
 H  -0.5697000       2.144800      0.8698000    
 H   0.7751000       3.208400      0.5650000    
 H  -0.1061000       2.560800     -0.8169000    
 H   0.5684000      -2.861600     -0.4297000    
 H    2.158700      -3.256600      0.2233000    
 H   0.8713000      -2.774200       1.330600    
 H    5.442000     -0.3794000     -0.3258000    
 H    5.066400       1.074700      -1.264400    
 H    5.294200       1.179500      0.5014000    
 H   -5.587500     -0.4607000      0.3025000    
 H   -5.926200      0.8461000     -0.8542000    
 H   -5.256700       1.253900      0.7413000    


%chk=000176704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176704

0 1
O -4.134781 0.337238 -0.305558
O -3.094669 -1.381217 0.873081
N -0.643100 -0.216084 0.519510
N 2.966884 -1.064460 0.228709
C 0.734813 -0.032577 0.269027
C -1.729836 0.300661 -0.329480
C 1.307386 1.232993 -0.070421
C 1.624751 -1.152333 0.434687
C 2.704884 1.283356 -0.298179
C -1.545504 -0.009543 -1.846379
C 3.511662 0.132180 -0.157730
C 0.491987 2.511110 -0.113434
C -3.024815 -0.350476 0.162623
C 1.094763 -2.507621 0.863552
C 5.005115 0.146319 -0.408818
C -5.454880 -0.235042 0.065840
H -1.853476 1.392377 -0.216099
H -0.903189 -1.091386 0.986118
H 3.170147 2.240126 -0.562067
H -1.526196 -1.099828 -2.022495
H -2.364574 0.437951 -2.435097
H -0.585212 0.409297 -2.193470
H -0.150979 2.595151 0.782713
H 1.157411 3.390726 -0.140739
H -0.167077 2.573282 -1.001727
H 0.325509 -2.890617 0.164343
H 1.934112 -3.218629 0.889211
H 0.637457 -2.481178 1.873371
H 5.553750 -0.181110 0.492820
H 5.268034 -0.559409 -1.218116
H 5.359711 1.152238 -0.691988
H -5.549092 -1.260479 -0.328458
H -6.189932 0.438685 -0.394935
H -5.562565 -0.254902 1.162885


