%chk=000173407.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173407

0 1
 O  -0.2367000       2.914200      0.4188000    
 N   -3.301300     -9.3800001E-02 -0.4845000    
 N   0.2952000      0.6633000      0.2319000    
 N    1.587000       2.342000     -0.8821000    
 N    2.585500      0.2568000      0.6588000    
 C   -3.264100      -1.545500     -0.2960000    
 C   -3.899600      0.5540000      0.6843000    
 C   -1.962900      0.4267000     -0.7317000    
 C   -1.066100      0.1722000      0.4710000    
 C   -2.703000      -2.226500      -1.541100    
 C   -4.667500      -2.052500      2.0600000E-02
 C   -4.000600       2.060200      0.4606000    
 C   -3.065800      0.2385000       1.922100    
 C    1.415600     -0.2479000      0.2730000    
 C   0.5020000       2.033900     -3.8800001E-02
 C    1.148100      -1.536100     -9.2799999E-02
 C    2.220500      -2.420300     -5.7900000E-02
 C    3.604000     -0.6320000      0.6802000    
 C    3.475300      -1.967700      0.3348000    
 C    2.060600       1.418600      -1.911700    
 C    2.311500       3.601700     -0.7862000    
 C    2.026400      -3.848400     -0.4403000    
 C    4.935800     -0.1115000       1.107000    
 H   -2.639900      -1.908900      0.5219000    
 H   -4.936300      0.2301000      0.8243000    
 H   -2.001100       1.490900     -0.9883000    
 H   -1.518300     -2.6000000E-03  -1.636300    
 H   -1.006200     -0.8427000      0.8546000    
 H   -1.243200      0.8763000       1.264800    
 H   -2.841100      -3.312600      -1.476700    
 H   -3.221800      -1.893200      -2.447600    
 H   -1.632000      -2.069400      -1.681200    
 H   -4.976300      -1.841500       1.049400    
 H   -4.708900      -3.144100     -7.9499997E-02
 H   -5.416600      -1.646500     -0.6694000    
 H   -4.635100       2.504400       1.237200    
 H   -3.040000       2.580900      0.5168000    
 H   -4.467300       2.290600     -0.5038000    
 H   -2.558300     -0.7145000       2.064500    
 H   -3.848200      8.7899998E-02   2.691400    
 H   -2.577000       1.102200       2.392100    
 H   0.1901000      -1.892500     -0.4416000    
 H    4.328100      -2.638400      0.3683000    
 H    2.127000       1.982000      -2.849900    
 H    3.066000       1.062600      -1.677000    
 H    1.365900      0.5984000      -2.101800    
 H    1.934900       4.199100      4.8300002E-02
 H    3.372300       3.389700     -0.6255000    
 H    2.180000       4.158600      -1.717900    
 H    2.141400      -3.966500      -1.522300    
 H    2.753200      -4.496600      6.1200000E-02
 H    1.030300      -4.200700     -0.1513000    
 H    5.280800     -0.6367000       2.003200    
 H    4.883300      0.9572000       1.340400    
 H    5.671000     -0.2459000      0.3072000    


%chk=000173407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173407

0 1
O -0.039414 2.422827 1.137790
N -3.268163 -0.223953 -0.305215
N 0.531102 0.383009 0.100337
N 1.474267 2.480076 -0.632995
N 2.856642 0.031900 0.453865
C -3.543438 -1.638250 0.098259
C -4.034107 0.831772 0.436510
C -1.858904 0.077749 -0.632211
C -0.804942 -0.149979 0.495964
C -2.937561 -2.630238 -0.925238
C -5.061489 -1.916033 0.211035
C -3.867622 2.226564 -0.208115
C -3.760607 0.920163 1.969486
C 1.656347 -0.480025 0.053038
C 0.659100 1.811639 0.265433
C 1.515454 -1.831926 -0.380759
C 2.636587 -2.686688 -0.358828
C 3.953378 -0.787944 0.454554
C 3.878192 -2.147785 0.076938
C 2.102094 1.881235 -1.815100
C 1.814469 3.884260 -0.355726
C 2.527998 -4.135977 -0.792170
C 5.251798 -0.150275 0.902889
H -3.091556 -1.872220 1.097331
H -5.098233 0.558625 0.307895
H -1.799245 1.135783 -0.936427
H -1.554859 -0.509969 -1.519787
H -0.697933 -1.219395 0.739705
H -1.110781 0.379804 1.412496
H -3.216855 -3.663687 -0.651480
H -3.327818 -2.415088 -1.936968
H -1.834339 -2.586960 -0.963144
H -5.535069 -1.372187 1.046431
H -5.225900 -2.994704 0.386494
H -5.571888 -1.632869 -0.728179
H -4.637599 2.909306 0.196073
H -2.883518 2.675526 0.018239
H -3.997719 2.168406 -1.303932
H -3.800595 -0.074438 2.451904
H -4.527355 1.556321 2.451805
H -2.775008 1.373378 2.178477
H 0.554087 -2.200858 -0.751447
H 4.774925 -2.775254 0.110777
H 2.081054 2.616451 -2.641206
H 3.152237 1.592181 -1.616825
H 1.546026 0.984844 -2.130675
H 1.281773 4.201282 0.552587
H 2.906071 3.994042 -0.203158
H 1.505566 4.532347 -1.198440
H 3.289747 -4.383986 -1.553968
H 2.693706 -4.815540 0.065177
H 1.534041 -4.362084 -1.214333
H 6.078970 -0.879272 0.922847
H 5.135078 0.285878 1.910833
H 5.528410 0.679715 0.226659


