%chk=000079957.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079957

0 1
 O  -0.5021000      -1.758400     -0.3751000    
 N  -9.1100000E-02  0.5463000     -6.1099999E-02
 N    5.478700      2.7200000E-02 -0.2542000    
 C    1.352400      0.4067000     -0.1094000    
 C  -0.6899000       1.875900      0.1367000    
 C    1.898700     -0.7696000      0.3252000    
 C    3.286400     -0.9034000      0.2788000    
 C  -0.9156000     -0.6022000     -0.2052000    
 C    2.082900       1.459900     -0.5867000    
 C    4.072400      0.1447000     -0.2006000    
 C    3.470600       1.326300     -0.6335000    
 C   -2.360000     -0.4413000     -0.1581000    
 C  -0.8742000       2.150700       1.616800    
 C    3.904800      -2.180400      0.7471000    
 C   -3.073500     -0.1991000      -1.332100    
 C   -3.032300     -0.5296000       1.060900    
 C   -4.459000     -4.4900000E-02  -1.287000    
 C   -4.418000     -0.3755000       1.105900    
 C   -5.131300     -0.1332000     -6.8200000E-02
 H  -0.1136000       2.680800     -0.3183000    
 H   -1.664200       1.929700     -0.3559000    
 H    1.333100      -1.566700      0.7907000    
 H    1.669900       2.379300     -0.9790000    
 H    4.071400       2.146500      -1.018700    
 H   -1.464200       1.387000       2.124900    
 H   9.5700003E-02   2.200600       2.123800    
 H   -1.374800       3.113600       1.761200    
 H    4.468800      -2.654000     -6.3299999E-02
 H    4.571600      -1.995100       1.595800    
 H    3.151000      -2.902800       1.079200    
 H   -2.559900     -0.1282000      -2.287500    
 H   -2.490400     -0.7333000       1.980700    
 H    5.943300     -0.8154000      5.3900000E-02
 H    6.031800      0.7983000     -0.6051000    
 H   -5.014400      0.1438000      -2.201000    
 H   -4.941900     -0.4475000       2.054500    
 H   -6.210200     -1.3900000E-02 -3.3300001E-02


%chk=000079957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079957

0 1
O -0.515506 -1.312110 -1.331228
N -0.173882 0.644819 -0.077091
N 5.493764 -0.023316 -0.059870
C 1.267615 0.482145 -0.098164
C -0.705770 1.965467 0.359697
C 1.850734 -0.754343 0.278666
C 3.244454 -0.951004 0.294080
C -0.990974 -0.348897 -0.648703
C 2.124913 1.547835 -0.460459
C 4.104099 0.137038 -0.070578
C 3.522956 1.379672 -0.440116
C -2.484451 -0.282404 -0.418422
C -0.373926 2.305105 1.825760
C 3.839494 -2.290747 0.686128
C -3.334812 -0.556649 -1.520192
C -3.056740 -0.105425 0.868398
C -4.733974 -0.610287 -1.347761
C -4.456250 -0.179947 1.044583
C -5.300054 -0.420850 -0.064384
H -0.299187 2.753593 -0.304432
H -1.794581 1.963156 0.203148
H 1.197256 -1.590502 0.543816
H 1.716259 2.514526 -0.772083
H 4.171655 2.217901 -0.723238
H -0.813214 1.563609 2.516599
H 0.716447 2.322125 1.994132
H -0.779509 3.300697 2.083098
H 4.436735 -2.730937 -0.138580
H 4.504585 -2.206018 1.569988
H 3.048537 -3.016513 0.936163
H -2.881829 -0.742284 -2.499604
H -2.407684 0.063784 1.735019
H 5.916879 -0.915229 0.174187
H 6.102518 0.738134 -0.343963
H -5.381760 -0.810296 -2.208470
H -4.885757 -0.056275 2.045075
H -6.386139 -0.472774 0.071603


