%chk=000063230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063230

0 1
 O   -1.858200       2.776500     -0.1141000    
 N    1.969000      0.2073000     -0.3384000    
 N  -5.9599999E-02 -0.8034000     -0.1152000    
 N   8.6900003E-02   1.570600     -0.2319000    
 C    4.613000     -0.6638000      0.3710000    
 C    3.947100      0.5219000       1.067200    
 C    3.564300      -1.639400     -0.1600000    
 C    2.924000       1.197000      0.1566000    
 C    2.547000     -0.9303000      -1.051100    
 C   0.6320000      0.3817000     -0.2281000    
 C   -1.449900     -0.7807000      6.8000001E-03
 C   -2.108700      0.4554000      1.0700000E-02
 C   -1.286800       1.690500     -0.1161000    
 C   -2.197800      -1.955200      0.1238000    
 C   -3.499500      0.5217000      0.1300000    
 C   -3.587100      -1.892500      0.2431000    
 C   -4.235800     -0.6573000      0.2457000    
 H    5.231600     -0.3018000     -0.4592000    
 H    5.280600      -1.179100       1.070300    
 H    3.448100      0.1696000       1.978700    
 H    4.707800       1.247700       1.374900    
 H    4.056400      -2.440500     -0.7226000    
 H    3.045200      -2.108500      0.6853000    
 H    2.425700       1.992800      0.7223000    
 H    3.426700       1.673000     -0.6938000    
 H    3.056600     -0.5505000      -1.946400    
 H    1.811900      -1.650200      -1.424500    
 H   0.4027000      -1.695800      6.2000002E-03
 H   -1.706300      -2.924800      0.1227000    
 H   -4.023100       1.473200      0.1343000    
 H   -4.164800      -2.807900      0.3336000    
 H   -5.317100     -0.6139000      0.3385000    


%chk=000063230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063230

0 1
O -1.620175 2.706022 0.859984
N 1.989770 -0.004337 -0.398768
N -0.210852 -0.934237 -0.395593
N 0.180400 1.349809 0.240380
C 4.764873 -0.449601 0.427100
C 4.008960 0.848895 0.792535
C 3.772205 -1.622810 0.256115
C 2.904043 1.155933 -0.241287
C 2.667186 -1.263647 -0.769590
C 0.632149 0.161888 -0.172302
C -1.599536 -0.831551 -0.176171
C -2.119162 0.416905 0.264131
C -1.188914 1.575969 0.477733
C -2.458222 -1.939381 -0.390170
C -3.510987 0.541059 0.488757
C -3.839922 -1.792722 -0.161283
C -4.372483 -0.552707 0.279634
H 5.319569 -0.297876 -0.522301
H 5.515307 -0.695386 1.201158
H 3.547148 0.749120 1.793594
H 4.706784 1.706195 0.835892
H 4.298011 -2.534817 -0.086281
H 3.297630 -1.854920 1.229277
H 2.283534 2.013610 0.059580
H 3.363054 1.373860 -1.229313
H 3.125408 -1.138373 -1.774009
H 1.956774 -2.104327 -0.844668
H 0.154298 -1.817408 -0.749447
H -2.050729 -2.899752 -0.729585
H -3.879028 1.515597 0.826557
H -4.506700 -2.646421 -0.325786
H -5.448492 -0.451292 0.454424


