%chk=000115599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115599

0 1
 O   0.4085000      0.8465000      0.5917000    
 O    1.173700       2.200800      -1.116100    
 N   -5.515100      -1.299100     -0.2724000    
 N   -3.222900      0.2412000      0.5346000    
 C   -5.598600     -0.4467000      0.9270000    
 C   -4.871300     -0.3933000      -1.240500    
 C   -6.078900      0.9130000      0.4011000    
 C   -5.591400      0.9489000      -1.050700    
 C   -4.161000     -0.3639000       1.494400    
 C   -3.383600     -0.3071000     -0.8224000    
 C   -1.842600      0.1458000      0.9953000    
 C   -6.815300      -1.788700     -0.7208000    
 C    2.709300       1.320900      0.5205000    
 C    3.707500      0.7167000     -0.4960000    
 C    3.313800       2.659300      0.9616000    
 C    4.940000       1.631700     -0.4414000    
 C    4.356400       2.991000     -9.6299998E-02
 C  -0.9199000      0.9539000      9.7000003E-02
 C    1.363500       1.524000     -0.1147000    
 C    4.035700     -0.7396000     -0.2509000    
 C    3.090500      -1.577300      0.3409000    
 C    5.283200      -1.244700     -0.6173000    
 C    3.392800      -2.920200      0.5668000    
 C    5.585500      -2.587600     -0.3916000    
 C    4.640200      -3.425400      0.2004000    
 H   -6.265700     -0.8539000       1.694900    
 H   -4.935400     -0.7563000      -2.272400    
 H   -5.688300       1.754400      0.9831000    
 H   -7.173300      0.9742000      0.4228000    
 H   -6.452000       1.027500      -1.725300    
 H   -4.941600       1.809400      -1.241300    
 H   -3.828300      -1.372600       1.775900    
 H   -4.177000      0.2412000       2.409100    
 H   -2.929400      -1.304500     -0.8983000    
 H   -2.892100      0.3414000      -1.555600    
 H   -1.500800     -0.8965000       1.045200    
 H   -1.756200      0.5401000       2.016300    
 H   -7.538300     -0.9979000     -0.9442000    
 H   -6.694200      -2.399500      -1.622100    
 H   -7.253400      -2.440100      4.3400001E-02
 H    2.591100      0.7212000       1.430400    
 H    3.292100      0.7686000      -1.512400    
 H    3.811200       2.534900       1.931700    
 H    2.576300       3.461600       1.067200    
 H    5.486100       1.659100      -1.389900    
 H    5.638500       1.330300      0.3497000    
 H    5.114300       3.687400      0.2733000    
 H    3.879500       3.437200     -0.9769000    
 H  -0.9148000      0.5710000     -0.9282000    
 H   -1.221600       2.008500      8.8399999E-02
 H    2.096900      -1.236900      0.6099000    
 H    6.035300     -0.6268000      -1.098100    
 H    2.654300      -3.574800       1.020100    
 H    6.554900      -2.982700     -0.6812000    
 H    4.874500      -4.471700      0.3735000    


%chk=000115599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115599

0 1
O 0.429979 1.036337 0.643354
O 1.203511 2.204164 -1.219889
N -5.613143 -1.421816 -0.171928
N -3.176719 0.034567 0.444321
C -5.555359 -0.456811 0.975976
C -4.898150 -0.627091 -1.224920
C -5.934206 0.941119 0.367764
C -5.490998 0.824207 -1.127650
C -4.100687 -0.466041 1.496896
C -3.395686 -0.643309 -0.861624
C -1.765542 0.049787 0.879033
C -6.986367 -1.826381 -0.551002
C 2.790951 1.531948 0.550803
C 3.854815 0.854528 -0.396064
C 3.365766 2.959853 0.886183
C 5.150172 1.683544 -0.165282
C 4.625990 3.125829 -0.002747
C -0.956140 1.086676 0.089714
C 1.434544 1.640978 -0.124048
C 3.995135 -0.659588 -0.230404
C 2.892228 -1.468314 0.156561
C 5.228622 -1.306900 -0.509107
C 3.019672 -2.871587 0.263494
C 5.358988 -2.709704 -0.404025
C 4.253566 -3.501026 -0.017202
H -6.234855 -0.781625 1.783366
H -5.039215 -1.091588 -2.216501
H -5.401067 1.756687 0.884252
H -7.019966 1.126146 0.457223
H -6.347788 0.941975 -1.815639
H -4.734542 1.583601 -1.387117
H -3.856929 -1.510057 1.810858
H -4.008238 0.193790 2.381077
H -3.056412 -1.707845 -0.836619
H -2.819780 -0.115279 -1.644346
H -1.273916 -0.950399 0.782556
H -1.731137 0.323957 1.949551
H -7.668022 -0.982368 -0.814188
H -6.934590 -2.506432 -1.420159
H -7.442211 -2.384421 0.286476
H 2.671541 0.943138 1.475122
H 3.524628 1.059747 -1.437240
H 3.643437 2.990164 1.955538
H 2.626410 3.760356 0.710924
H 5.867964 1.585300 -0.999179
H 5.656987 1.345895 0.760231
H 5.370625 3.808653 0.443715
H 4.340315 3.534529 -0.990229
H -0.911255 0.875250 -0.992722
H -1.363179 2.102441 0.234970
H 1.925221 -1.004492 0.381779
H 6.097918 -0.712402 -0.810834
H 2.154363 -3.472821 0.566149
H 6.322753 -3.183737 -0.623424
H 4.352594 -4.589230 0.065404


