%chk=000064109.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064109

0 1
 O    1.770100       1.625400     -0.1772000    
 N    1.829000     -0.6901000     -0.4412000    
 N  -0.2414000     -0.9746000      0.6524000    
 N   -2.485500      0.1270000      9.7499996E-02
 N    3.884900      -1.877200     -0.3083000    
 C   0.3916000     -0.7848000     -0.6435000    
 C    3.861500      0.5639000     -2.4700001E-02
 C   -1.709300      -1.029600      0.5281000    
 C    2.393100      0.5688000     -0.2183000    
 C    4.544800     -0.6585000     -7.7900000E-02
 C    2.603900      -1.835200     -0.4732000    
 C   -3.869500      0.1710000      5.8600001E-02
 C    4.548700       1.760000      0.2067000    
 C    5.932100     -0.6636000      0.1049000    
 C   -4.639100     -0.9416000      0.4476000    
 C   -4.543900       1.329600     -0.3707000    
 C   -6.681900      0.2603000     -2.0000000E-02
 C    5.931000       1.737200      0.3868000    
 C    6.621900      0.5279000      0.3361000    
 C   -6.032700     -0.8973000      0.4086000    
 C   -5.937500       1.373800     -0.4097000    
 C   -8.171800      0.3074000     -6.2700003E-02
 H   3.7599999E-02  0.1323000      -1.126500    
 H   0.1791000      -1.633200      -1.304500    
 H   -1.956700      -1.880900     -0.1197000    
 H   -2.057400      -1.297200       1.533500    
 H   9.1399997E-02  -1.848100       1.060000    
 H   -1.976500      0.9582000     -0.1808000    
 H    2.038100      -2.762400     -0.6543000    
 H    4.028000       2.712500      0.2497000    
 H    6.485800      -1.598700      6.8300001E-02
 H   -4.175900      -1.864800      0.7853000    
 H   -3.978900       2.206800     -0.6786000    
 H    6.470000       2.662800      0.5668000    
 H   -6.602000      -1.771900      0.7122000    
 H   -6.431900       2.280800     -0.7474000    
 H    7.698900      0.5121000      0.4766000    
 H   -8.530400     -3.0200001E-02  -1.040100    
 H   -8.609800     -0.3315000      0.7118000    
 H   -8.540400       1.323500      0.1146000    


%chk=000064109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064109

0 1
O 0.532716 0.605091 -0.042097
N 1.632818 -1.417189 -0.519020
N -0.289707 -2.375326 0.667895
N -1.980662 -0.680918 0.635406
N 4.045127 -1.603797 -0.601501
C 0.323595 -2.157347 -0.618937
C 2.964441 0.571874 -0.065630
C -1.712676 -2.091390 0.884017
C 1.624299 -0.028189 -0.192639
C 4.133009 -0.234058 -0.274488
C 2.832425 -2.112045 -0.704753
C -3.253032 -0.167944 0.380010
C 3.098179 1.948368 0.257100
C 5.419750 0.358599 -0.152130
C -4.440377 -0.942299 0.536772
C -3.391873 1.189091 -0.048599
C -5.849759 0.963703 -0.173572
C 4.375391 2.519346 0.374601
C 5.537050 1.720517 0.169079
C -5.705233 -0.376819 0.255219
C -4.660432 1.732486 -0.312528
C -7.213588 1.567421 -0.467022
H -0.361803 -1.545801 -1.229767
H 0.564685 -3.088256 -1.176010
H -2.380310 -2.701532 0.226110
H -1.936508 -2.395998 1.931548
H 0.141110 -3.057127 1.290457
H -1.153814 -0.072881 0.546048
H 2.723984 -3.172505 -0.960706
H 2.187829 2.537236 0.408495
H 6.296177 -0.275229 -0.316095
H -4.387861 -1.974981 0.898411
H -2.491140 1.802789 -0.173128
H 4.481155 3.580107 0.624683
H -6.601722 -0.997098 0.384675
H -4.732458 2.778139 -0.639897
H 6.530051 2.173656 0.262154
H -7.285650 1.924969 -1.512512
H -8.020564 0.829623 -0.311546
H -7.425627 2.435615 0.186698


