%chk=000012555.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012555

0 1
 O   -2.171500     -0.9826000      0.6206000    
 N    1.151400     -0.5559000       1.038900    
 N  -0.1162000     -0.1628000       1.248500    
 N   -4.227100       1.404900     -0.8405000    
 C    1.268900      -1.693400      0.2866000    
 C  -3.5200000E-02  -2.068600     -1.6000001E-02
 C   -4.251400      6.8999998E-02   1.211400    
 C    2.231000      0.2229000       1.600500    
 C  -0.8352000      -1.085500      0.6055000    
 C   -4.699100      0.1613000     -0.2438000    
 C   -2.734500      0.1245000       1.333900    
 C    2.688200       1.294700      0.6483000    
 C    2.387200      -2.410100     -0.1448000    
 C  -0.2582000      -3.219400     -0.7904000    
 C    2.149100      -3.553000     -0.9153000    
 C   0.8497000      -3.952700      -1.233300    
 C   -4.572600       1.458600      -2.262200    
 C   -4.789200       2.559800     -0.1379000    
 C    2.094300       2.548700      0.6936000    
 C    3.698200       1.015500     -0.2624000    
 C    2.518200       3.542400     -0.1888000    
 C    4.122100       2.009200      -1.144600    
 C    3.532000       3.272600      -1.107900    
 H   -4.719700      0.8279000       1.846000    
 H   -4.595900     -0.8998000       1.596400    
 H    3.053300     -0.4523000       1.863500    
 H    1.882200      0.6592000       2.544900    
 H   -5.793400      8.5400000E-02 -0.2912000    
 H   -4.301600     -0.6973000     -0.7994000    
 H   -2.473100      3.9999999E-02   2.396500    
 H   -2.342100       1.073900      0.9509000    
 H    3.398900      -2.117600      0.1090000    
 H   -1.264000      -3.540000      -1.044200    
 H    2.991400      -4.142300      -1.269100    
 H   0.6944000      -4.846000      -1.832700    
 H   -4.172000       2.368700      -2.722500    
 H   -5.656300       1.436300      -2.425400    
 H   -4.124700      0.6148000      -2.799000    
 H   -5.881900       2.512700     -6.4099997E-02
 H   -4.532200       3.486400     -0.6657000    
 H   -4.367600       2.680800      0.8643000    
 H    1.303300       2.769400       1.404800    
 H    4.178300      4.3200001E-02 -0.2962000    
 H    2.058700       4.526100     -0.1603000    
 H    4.913800       1.800500      -1.858200    
 H    3.862700       4.046500      -1.794400    


%chk=000012555-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012555

0 1
O -2.263651 -1.019648 0.676055
N 1.202985 -0.429622 1.018741
N -0.137837 -0.075081 1.301201
N -4.727508 1.581729 -0.494422
C 1.275152 -1.549562 0.199678
C -0.077452 -1.961418 -0.059824
C -4.421917 -0.138072 1.324364
C 2.287061 0.386420 1.564102
C -0.886842 -1.000816 0.650035
C -4.920660 0.162750 -0.107001
C -2.915029 0.061736 1.472684
C 3.010664 1.244125 0.525026
C 2.382493 -2.251842 -0.339053
C -0.337403 -3.099143 -0.863188
C 2.100784 -3.378390 -1.133354
C 0.759476 -3.802078 -1.394225
C -4.690351 1.770646 -1.959010
C -5.688936 2.497465 0.150468
C 2.278554 1.958530 -0.456409
C 4.420747 1.365152 0.556974
C 2.948547 2.780971 -1.387816
C 5.093414 2.192853 -0.371871
C 4.358070 2.903420 -1.347309
H -4.933052 0.513525 2.059563
H -4.680405 -1.181844 1.586987
H 3.014711 -0.266540 2.084114
H 1.813429 1.028435 2.327957
H -5.993659 -0.147046 -0.198227
H -4.340111 -0.463925 -0.808231
H -2.576569 -0.027079 2.522289
H -2.601725 1.041058 1.067180
H 3.412125 -1.926897 -0.160585
H -1.366290 -3.416524 -1.059571
H 2.931329 -3.945449 -1.569232
H 0.591567 -4.685587 -2.019444
H -4.452488 2.824707 -2.191670
H -5.656426 1.518270 -2.467008
H -3.898179 1.136921 -2.395084
H -6.750482 2.301919 -0.151654
H -5.443777 3.540971 -0.117200
H -5.628082 2.411405 1.249094
H 1.187172 1.860935 -0.488438
H 4.997115 0.811679 1.309744
H 2.373865 3.327348 -2.144260
H 6.185508 2.277687 -0.337633
H 4.876665 3.542506 -2.070735


