%chk=000097381.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097381

0 1
 O   -2.534600     -0.1672000      0.8967000    
 O   -3.577600       2.574100     -6.6799998E-02
 O   -4.629900      -2.005700      0.6847000    
 O    3.814800      -2.083500     -0.3052000    
 N  -0.3199000     -0.3228000      6.1099999E-02
 N   0.8668000      -2.193800     -0.2365000    
 N    1.454600       1.308800      0.2423000    
 N    3.593900      0.2408000      2.9600000E-02
 N    4.978400      0.4266000      1.6400000E-02
 N    3.385500       2.613400      0.3715000    
 C   -1.484700      0.5410000      0.2153000    
 C   -3.509300       1.301800     -0.7069000    
 C   -2.072500       1.039700      -1.096900    
 C   -3.800100      0.2025000      0.3093000    
 C   -4.405300      -1.040600     -0.3280000    
 C   0.9918000      5.1100001E-02  7.7500001E-02
 C  -0.3438000      -1.682500     -0.1303000    
 C    1.692200      -1.115500     -0.1068000    
 C    3.129500      -1.080900     -0.1434000    
 C    2.770200       1.392700      0.2162000    
 H   -1.192000       1.377100      0.8618000    
 H   -2.030500      0.2581000      -1.864800    
 H   -1.539000       1.919600      -1.469500    
 H   -4.202700       1.312800      -1.552700    
 H   -4.439000      0.5545000       1.127200    
 H   -3.726400      -1.482800      -1.064200    
 H   -5.360000     -0.8083000     -0.8098000    
 H   -1.265100      -2.245900     -0.1894000    
 H   -3.340400       3.246200     -0.7284000    
 H   -5.016500      -2.787700      0.2550000    
 H    5.190300       1.094400     -0.7234000    
 H    5.236700      0.8648000      0.8992000    
 H    4.393800       2.713700      0.3562000    
 H    2.839300       3.457400      0.5064000    


%chk=000097381-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097381

0 1
O -2.380744 -0.366826 0.573209
O -3.780908 2.485539 -0.438013
O -4.976962 -1.479943 1.515932
O 4.301546 -1.660022 -0.568273
N -0.208887 -0.323784 -0.378781
N 1.157360 -2.078458 -0.930555
N 1.448916 1.337656 0.358675
N 3.697885 0.475866 0.209953
N 5.083228 0.769577 0.431752
N 3.293899 2.660064 1.004377
C -1.413210 0.465709 -0.171492
C -3.606675 1.110245 -0.938508
C -2.176495 0.851116 -1.459335
C -3.734373 0.194830 0.316486
C -4.731317 -0.950870 0.170635
C 1.094434 0.103406 -0.120770
C -0.109322 -1.647581 -0.860551
C 1.928453 -0.989769 -0.475283
C 3.356736 -0.859986 -0.326503
C 2.774866 1.490110 0.521505
H -1.123327 1.359922 0.412480
H -2.168760 -0.006573 -2.156616
H -1.735862 1.726325 -1.965279
H -4.371707 0.882028 -1.707811
H -4.030613 0.830882 1.171855
H -4.311987 -1.724439 -0.507081
H -5.674046 -0.553442 -0.265940
H -0.989527 -2.240936 -1.090893
H -3.706356 3.121627 -1.194025
H -5.372482 -2.384450 1.456268
H 5.590746 0.658921 -0.460702
H 5.460506 0.089447 1.111153
H 4.307872 2.719376 1.107786
H 2.655614 3.408335 1.257745


