%chk=000001962.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001962

0 1
 O   0.1658000     -0.6233000      0.3085000    
 N    3.049300     -0.7199000     -0.7671000    
 N   -2.823200       1.378800     -0.2749000    
 C    2.502000     -0.1105000      0.4698000    
 C    3.642900      0.9153000      0.4151000    
 C    4.372900     -0.1511000     -0.4138000    
 C    1.111000      0.4463000      0.2388000    
 C   -1.141800     -0.3088000      0.1371000    
 C   -2.127200      -1.288300      0.1895000    
 C   -1.538300      0.9982000     -9.5799997E-02
 C   -3.460200     -0.9359000      9.8999999E-03
 C   -3.753100      0.3992000     -0.2172000    
 H    2.563900     -0.7728000       1.343800    
 H    4.103600       1.177100       1.370800    
 H    3.419200       1.832700     -0.1421000    
 H    4.955600      0.2213000      -1.260800    
 H    4.996900     -0.8345000      0.1738000    
 H    2.668700     -0.3279000      -1.628900    
 H    1.054600      0.9541000     -0.7332000    
 H   0.8997000       1.166000       1.040300    
 H   -1.862400      -2.326400      0.3696000    
 H  -0.8580000       1.839600     -0.1539000    
 H   -4.245100      -1.682700      4.6700001E-02
 H   -4.777500      0.7258000     -0.3635000    


%chk=000001962-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001962

0 1
O 0.229472 -0.522167 0.404536
N 3.114766 -1.044601 -0.240914
N -2.875013 1.406673 -0.421843
C 2.568278 -0.099499 0.794945
C 3.796809 0.841951 0.529222
C 4.047718 0.012077 -0.779034
C 1.233540 0.563653 0.443634
C -1.096745 -0.183800 0.117049
C -2.025009 -1.255018 0.093089
C -1.565684 1.131218 -0.145913
C -3.374039 -0.971461 -0.191347
C -3.758874 0.369229 -0.442932
H 2.497582 -0.553799 1.799075
H 4.593938 0.720797 1.278258
H 3.573884 1.913671 0.399077
H 3.694158 0.538938 -1.691662
H 5.077895 -0.344467 -0.948861
H 2.439732 -1.497595 -0.873281
H 1.281350 1.059416 -0.548665
H 0.949275 1.309930 1.214396
H -1.674213 -2.271201 0.296903
H -0.891342 1.993846 -0.137981
H -4.118928 -1.773230 -0.218035
H -4.799249 0.627738 -0.667216


