%chk=000078773.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078773

0 1
 O    4.962500      0.1655000       1.270500    
 O  -0.7325000       2.400200     -0.4196000    
 O   -4.667600      0.1377000      0.7685000    
 N    2.738600     -1.7600000E-02 -0.4964000    
 N   0.4473000     -0.3183000     -0.8265000    
 N   -2.810100      -1.130600      0.1728000    
 N   -2.714700       1.289500      0.1793000    
 N  -0.6989000      -2.202300     -0.4989000    
 C    1.560400      0.5385000      -1.158400    
 C    2.563400     -2.3499999E-02  0.9626000    
 C    3.945300      0.7403000     -0.8554000    
 C  -0.8043000      5.9500001E-02 -0.4329000    
 C    3.809600     -0.5959000       1.631900    
 C    5.158800      0.1489000     -0.1439000    
 C   -1.484600      -1.111600     -0.2389000    
 C   0.4619000      -1.689000     -0.8511000    
 C   -1.359800       1.359800     -0.2406000    
 C   -3.488000      9.3099996E-02  0.4010000    
 C   -3.492900      -2.404000      0.3657000    
 C   -3.394500       2.559800      0.4102000    
 H    1.662000      0.5098000      -2.249200    
 H    1.373300       1.565800     -0.8429000    
 H    1.717100     -0.6321000       1.295000    
 H    2.399300       1.000100       1.325700    
 H    3.831900       1.794100     -0.5690000    
 H    4.111700      0.6985000      -1.937900    
 H    3.705900     -0.5429000       2.720500    
 H    3.966000      -1.648000       1.364400    
 H    5.360800     -0.8776000     -0.4736000    
 H    6.048200      0.7482000     -0.3634000    
 H    1.331000      -2.264100      -1.142400    
 H   -4.526800      -2.260200      0.6896000    
 H   -2.960900      -2.980600       1.128700    
 H   -3.492500      -2.954600     -0.5801000    
 H   -2.753200       3.424300      0.2248000    
 H   -3.744000       2.585200       1.447300    
 H   -4.269200       2.611700     -0.2460000    


%chk=000078773-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078773

0 1
O 5.349223 0.042083 1.067445
O -0.916220 2.511743 -0.152014
O -4.877906 0.048351 0.543900
N 2.808738 0.120944 -0.309129
N 0.444385 -0.270260 -0.642041
N -2.933751 -1.168824 0.045528
N -2.892804 1.243920 0.183221
N -0.753193 -2.213539 -0.492010
C 1.580403 0.654497 -0.903958
C 2.882323 0.304496 1.165787
C 4.051227 0.588292 -0.977035
C -0.878476 0.091984 -0.332129
C 4.114449 -0.431969 1.715106
C 5.257530 -0.162315 -0.386773
C -1.580199 -1.123033 -0.250219
C 0.463914 -1.652169 -0.729412
C -1.491126 1.376901 -0.109493
C -3.643758 0.033235 0.272944
C -3.639601 -2.463179 0.122238
C -3.665472 2.483594 0.430611
H 1.729628 0.741185 -1.996436
H 1.261315 1.647066 -0.518616
H 1.967124 -0.110336 1.627123
H 2.945091 1.386812 1.432652
H 4.207166 1.685821 -0.842236
H 3.980701 0.379886 -2.061771
H 4.249202 -0.231511 2.790289
H 4.000612 -1.525158 1.550176
H 5.163453 -1.247471 -0.608775
H 6.204368 0.221857 -0.799990
H 1.375446 -2.202617 -0.940982
H -4.691528 -2.254067 0.364415
H -3.185206 -3.095352 0.903186
H -3.566617 -2.990514 -0.843450
H -2.974123 3.330031 0.309495
H -4.086070 2.471188 1.449455
H -4.499750 2.556030 -0.285703


