%chk=000094005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094005

0 1
 O    3.609300      0.5966000      0.8249000    
 N    1.267500      -1.349800     -0.6489000    
 N   -2.668800       1.186700      0.1580000    
 N  -0.6972000     -8.8100001E-02 -0.2460000    
 C    1.108500      -2.527700      0.1395000    
 C   -3.554700      6.1600000E-02 -8.2599998E-02
 C   0.6527000     -0.1169000     -0.3144000    
 C  -0.1073000      -3.304600     -0.3734000    
 C   0.8969000      -2.111500       1.597000    
 C    2.372000      -3.382900      9.3000000E-03
 C   -1.292600       1.102500      7.5800002E-02
 C   -5.002700      0.5267000      9.5500000E-02
 C   -3.329200     -0.4371000      -1.511800    
 C   -3.230800      -1.045900      0.9241000    
 C    1.464900      0.9809000     -7.9200000E-02
 C   0.8523000       2.185700      0.2471000    
 C  -0.5343000       2.255000      0.3271000    
 C    2.918100      0.8913000     -0.1677000    
 C    1.654100       3.416800      0.5167000    
 C    3.621300       1.160600      -1.491100    
 H    2.012200      -1.309600      -1.336800    
 H   -3.037600       1.956900      0.7077000    
 H   4.8700001E-02  -3.632500      -1.408400    
 H  -0.2851000      -4.199700      0.2332000    
 H   -1.023900      -2.714900     -0.3706000    
 H  -5.1899999E-02  -1.596700       1.774700    
 H    1.707500      -1.469000       1.961300    
 H   0.8831000      -2.998200       2.243200    
 H    3.257500      -2.836200      0.3546000    
 H    2.292500      -4.301700      0.6008000    
 H    2.554000      -3.669900      -1.033000    
 H   -5.245700       1.337500     -0.6012000    
 H   -5.709200     -0.2916000     -8.1500001E-02
 H   -5.176700      0.9063000       1.109100    
 H   -2.381600     -0.9592000      -1.663200    
 H   -3.372900      0.3879000      -2.233000    
 H   -4.111900      -1.153200      -1.791300    
 H   -3.313000     -0.6722000       1.952300    
 H   -3.945100      -1.871900      0.8227000    
 H   -2.241600      -1.483700      0.8272000    
 H   -1.029100       3.189400      0.5795000    
 H    2.350100       3.249800       1.345400    
 H    2.216000       3.711600     -0.3755000    
 H    1.018300       4.264300      0.7957000    
 H    2.892500       1.405700      -2.268800    
 H    4.170900      0.2658000      -1.794100    
 H    4.304000       2.005400      -1.369900    


%chk=000094005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094005

0 1
O 3.728401 -0.212099 -0.506264
N 1.520225 -1.387877 -0.003179
N -2.529423 1.070074 0.164995
N -0.504409 -0.181058 0.063262
C 0.979178 -2.749170 0.269073
C -3.532417 -0.035524 0.105606
C 0.867991 -0.189287 -0.070233
C -0.072613 -3.168584 -0.789788
C 0.380531 -2.807445 1.700623
C 2.198035 -3.704827 0.182212
C -1.148706 1.014250 0.071740
C -4.919637 0.641868 0.242629
C -3.438981 -0.762511 -1.263035
C -3.326349 -1.032372 1.273677
C 1.668412 1.039268 -0.293424
C 0.942924 2.288771 -0.190055
C -0.440980 2.262754 0.005614
C 3.100783 0.922660 -0.597351
C 1.583920 3.669919 -0.221767
C 3.958945 2.082882 -1.106547
H 2.557134 -1.273678 -0.129682
H -2.920907 2.013484 0.150706
H 0.360000 -3.111950 -1.805161
H -0.397087 -4.209641 -0.605529
H -0.948035 -2.504776 -0.741889
H -0.426754 -2.066258 1.810175
H 1.160361 -2.587438 2.452220
H -0.027648 -3.814841 1.904349
H 2.980934 -3.416876 0.907991
H 1.882726 -4.738695 0.406928
H 2.641228 -3.688903 -0.830362
H -5.096304 1.366078 -0.576099
H -5.715469 -0.120719 0.193791
H -5.011856 1.168376 1.211234
H -2.424244 -1.163924 -1.413450
H -3.665223 -0.064917 -2.090147
H -4.160781 -1.598935 -1.303712
H -3.388244 -0.510605 2.245753
H -4.107837 -1.813703 1.242867
H -2.338756 -1.509321 1.193108
H -0.995502 3.202753 0.101930
H 2.398573 3.761638 0.517702
H 2.005636 3.920096 -1.210312
H 0.827360 4.436003 0.018074
H 3.494626 2.605539 -1.960223
H 4.919064 1.649747 -1.428042
H 4.163175 2.830073 -0.320006


