%chk=000034836.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034836

0 1
 O   -3.962400      -3.440800      0.2140000    
 N    1.558700       1.119500       1.067000    
 N   -2.924700     -0.8293000      0.1701000    
 N   -1.193400      0.6478000      0.6862000    
 N   -1.236300       2.862300     -0.2368000    
 N   -2.998500       1.315700     -0.7468000    
 N   -3.014100       3.486900      -1.632500    
 C    2.786500       1.430200       1.809300    
 C    1.868500      0.8866000     -0.3548000    
 C    3.708600      0.2068000       1.825700    
 C    2.975600     -0.1202000     -0.5686000    
 C    3.884100     -0.4118000      0.4633000    
 C   0.5814000       2.198600       1.205100    
 C   -2.036300      -1.977800      0.3953000    
 C   -4.182700      -1.138400     -0.5184000    
 C  -0.7099000       1.879500      0.4996000    
 C    3.140200     -0.7217000      -1.823700    
 C    4.919800      -1.327600      0.2369000    
 C   -2.825100      -3.124700       1.016800    
 C   -4.857000      -2.330600      0.1514000    
 C   -2.345300      0.4359000      2.9400000E-02
 C    4.180200      -1.624800      -2.042300    
 C    5.067500      -1.929300      -1.012500    
 C   -2.385500       2.507200     -0.8337000    
 H    2.553900       1.694200       2.848400    
 H    3.304900       2.290400       1.364200    
 H    2.170500       1.821900     -0.8457000    
 H   0.9852000      0.5006000     -0.8763000    
 H    3.291100     -0.5566000       2.494700    
 H    4.684300      0.5057000       2.226800    
 H   0.9863000       3.148200      0.8308000    
 H   0.3368000       2.346300       2.264400    
 H   -1.204300      -1.739200       1.067000    
 H   -1.616800      -2.290700     -0.5688000    
 H   -3.965100      -1.371300      -1.567900    
 H   -4.880300     -0.2936000     -0.4883000    
 H    2.458300     -0.4889000      -2.637800    
 H    5.616100      -1.576600       1.033600    
 H   -2.197600      -4.019500       1.077800    
 H   -3.153700      -2.879200       2.034000    
 H   -5.198200      -2.080200       1.163300    
 H   -5.733900      -2.637200     -0.4274000    
 H    4.298600      -2.090300      -3.016400    
 H    5.875000      -2.635500      -1.182600    
 H   -2.589000       4.399000      -1.726900    
 H   -3.881500       3.264500      -2.100900    


%chk=000034836-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034836

0 1
O -5.725137 -2.415454 1.627871
N 1.787126 0.610704 0.801625
N -3.417011 -1.277131 0.365781
N -1.480307 -0.017618 0.849129
N -0.770292 1.699494 -0.710847
N -2.775882 0.380099 -1.183240
N -2.040999 2.054321 -2.646531
C 2.769061 0.232205 1.844332
C 2.414717 1.374894 -0.298709
C 3.775521 -0.771663 1.250850
C 3.709801 0.746716 -0.795757
C 4.377710 -0.261962 -0.051713
C 0.562614 1.264926 1.323450
C -3.262883 -2.049560 1.615138
C -4.589602 -1.646106 -0.450631
C -0.634664 0.967524 0.436684
C 4.275868 1.204053 -2.011781
C 5.598553 -0.790024 -0.543669
C -4.569627 -1.968727 2.428297
C -5.860495 -1.580226 0.420165
C -2.540517 -0.282974 -0.000815
C 5.489162 0.672252 -2.496546
C 6.156057 -0.333145 -1.756676
C -1.863599 1.351481 -1.482668
H 2.225695 -0.234414 2.685484
H 3.316453 1.124010 2.246753
H 2.632645 2.428803 0.029474
H 1.685579 1.459790 -1.123768
H 3.242223 -1.723566 1.059603
H 4.576340 -0.985203 1.985504
H 0.682809 2.372456 1.409598
H 0.341160 0.851862 2.321002
H -2.408848 -1.635215 2.173520
H -3.052005 -3.108157 1.361650
H -4.456095 -2.679732 -0.829198
H -4.648841 -0.954800 -1.305905
H 3.756647 1.983974 -2.583704
H 6.115047 -1.566743 0.034931
H -4.537083 -2.645802 3.297534
H -4.734284 -0.925366 2.774600
H -6.061473 -0.526712 0.712700
H -6.731293 -1.986095 -0.120388
H 5.911548 1.035325 -3.440327
H 7.100593 -0.752580 -2.121386
H -1.374014 2.783748 -2.884402
H -2.827479 1.832336 -3.251018


