%chk=000176825.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176825

0 1
 O    1.966100     -0.3478000      -1.637700    
 O    4.250400     -0.1040000       1.112800    
 O    2.954100       2.029300      8.7499999E-02
 O   -4.543200     -0.1770000      0.5249000    
 N  -7.0600003E-02  8.5800000E-02 -0.4623000    
 N   -1.343100       2.136100     -0.4118000    
 N   -3.679700       1.927800      0.1119000    
 N   -2.971600      -3.551300      0.5536000    
 C    1.260100      0.5973000     -0.8045000    
 C    2.143400      0.8973000      0.4040000    
 C    2.987900     -0.3527000      0.5308000    
 C    3.060000     -0.7855000     -0.8980000    
 C   -1.209200      0.8077000     -0.2961000    
 C  -0.3820000      -1.240700     -0.2524000    
 C   -2.256500     -2.1100000E-02  1.8400000E-02
 C   -1.730800      -1.333900      4.7300000E-02
 C    4.051000      -1.473600      -1.474400    
 C   -3.587000      0.5360000      0.2434000    
 C    4.129200      0.3039000       2.469000    
 C   -2.615700       2.618800     -0.1918000    
 C   -2.412500      -2.552400      0.3255000    
 H    1.101900       1.490000      -1.421000    
 H    1.582000       1.139200       1.311500    
 H    2.455300      -1.130200       1.094000    
 H   0.3734000      -2.011600     -0.3288000    
 H    3.463400       1.831200     -0.7165000    
 H  -0.5793000       2.765000     -0.6371000    
 H    4.014500      -1.722600      -2.529500    
 H    4.913300      -1.805100     -0.9066000    
 H    3.679100       1.296800       2.551700    
 H    5.134900      0.3565000       2.895700    
 H    3.550800     -0.4244000       3.046500    
 H   -2.677700       3.713500     -0.2969000    


%chk=000176825-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176825

0 1
O 1.989813 -1.062511 -0.684818
O 3.804499 1.266855 0.516826
O 1.460348 1.949620 1.349432
O -4.913374 0.230079 -0.506683
N -0.223828 -0.218439 -0.475354
N -1.232007 1.794271 0.610287
N -3.648568 1.933123 0.536739
N -3.721790 -2.998419 -2.285775
C 1.196014 0.130085 -0.357526
C 1.629827 0.529929 1.090570
C 3.116079 0.092332 1.101693
C 3.119984 -1.118075 0.189672
C -1.287748 0.593110 -0.078475
C -0.752924 -1.325452 -1.164632
C -2.501467 0.012868 -0.487674
C -2.150518 -1.215437 -1.178578
C 4.004776 -2.136748 0.126409
C -3.780240 0.677278 -0.184356
C 5.270270 1.166568 0.482024
C -2.466471 2.400283 0.879736
C -3.024630 -2.172462 -1.774072
H 1.456337 0.941205 -1.067082
H 1.039509 -0.028574 1.834867
H 3.519704 -0.124606 2.107643
H -0.100130 -2.091745 -1.569707
H 2.310281 2.387386 1.053237
H -0.332333 2.184964 0.946884
H 3.891999 -2.946061 -0.599639
H 4.846257 -2.180606 0.821976
H 5.676836 1.012978 1.501580
H 5.624947 2.126485 0.078577
H 5.589765 0.340607 -0.179235
H -2.399317 3.347408 1.428553


