%chk=000083387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083387

0 1
 O   -1.171800       4.253000      4.0300000E-02
 N  -8.5400000E-02  0.7534000      0.4268000    
 C    1.328700      0.4866000      0.2740000    
 C    1.749600     -0.6306000       1.232000    
 C    1.621800      0.1133000      -1.180800    
 C    3.214100      -1.014300       1.034900    
 C    3.085900     -0.2729000      -1.375800    
 C    3.507800      -1.382600     -0.4168000    
 C  -0.4987000       2.091700      0.8431000    
 C   -1.041900     -0.2353000      0.1719000    
 C  -0.7362000       2.965300     -0.3769000    
 C   -1.468300      -1.089700       1.196500    
 C   -1.585300     -0.3822000      -1.110500    
 C   -2.422600      -2.074900      0.9428000    
 C   -2.539600      -1.367200      -1.364200    
 C   -2.958300      -2.213700     -0.3375000    
 H    1.914500       1.383200      0.5174000    
 H    1.158400      -1.539700       1.074900    
 H    1.587000     -0.3203000       2.271300    
 H    1.370900      0.9469000      -1.847600    
 H    1.022300     -0.7446000      -1.504800    
 H    3.854300     -0.1757000       1.335600    
 H    3.466300      -1.857800       1.687600    
 H    3.247800     -0.5980000      -2.409800    
 H    3.719400      0.6082000      -1.215600    
 H    4.578000      -1.585700     -0.5362000    
 H    2.976400      -2.307400     -0.6730000    
 H   0.2565000       2.552700       1.492100    
 H   -1.409500       2.045000       1.454300    
 H   -1.509100       2.545700      -1.027200    
 H   0.1824000       3.082600     -0.9612000    
 H   -1.069200     -0.9880000       2.202800    
 H   -1.274800      0.2687000      -1.924000    
 H   -2.750500      -2.732300       1.742700    
 H   -2.957300      -1.474900      -2.361000    
 H   -3.701900      -2.980200     -0.5349000    
 H   -1.308700       4.782300     -0.7639000    


%chk=000083387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083387

0 1
O -0.860691 4.106899 1.175885
N -0.110132 0.498531 0.507607
C 1.311575 0.265520 0.119994
C 2.034616 -0.820586 0.968408
C 1.542360 0.065182 -1.403745
C 3.544351 -0.867509 0.625939
C 3.057996 0.010656 -1.719496
C 3.773136 -1.082765 -0.889563
C -0.366739 1.755797 1.232303
C -1.179864 -0.366865 0.196538
C -0.649145 2.947111 0.294858
C -2.539081 0.051523 0.379306
C -0.978380 -1.696477 -0.296821
C -3.617299 -0.809971 0.093750
C -2.066362 -2.543145 -0.586407
C -3.400827 -2.117573 -0.395988
H 1.824200 1.219862 0.364733
H 1.589751 -1.816860 0.791221
H 1.887108 -0.595398 2.042313
H 1.061650 0.897927 -1.953128
H 1.062536 -0.864277 -1.758802
H 4.021421 0.087411 0.931611
H 4.036531 -1.669584 1.208992
H 3.207135 -0.168180 -2.801860
H 3.518855 0.995070 -1.492231
H 4.856890 -1.085501 -1.116011
H 3.381288 -2.079190 -1.181493
H 0.514112 2.007253 1.851120
H -1.213589 1.640615 1.930945
H -1.545398 2.740573 -0.325732
H 0.218018 3.111713 -0.380514
H -2.766304 1.060127 0.735928
H 0.030184 -2.088411 -0.435546
H -4.639673 -0.445350 0.250275
H -1.862119 -3.554810 -0.957466
H -4.241607 -2.781878 -0.619983
H -1.083502 4.903165 0.632361


