%chk=000104945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104945

0 1
 O    3.666000      0.6548000      0.8951000    
 O    3.118900      -1.946300      -1.524800    
 O    5.459200      -1.555200     -0.1998000    
 O    4.913600       3.124500      0.4404000    
 N    1.448700      3.3399999E-02  0.3230000    
 N   -3.155400      0.2910000      0.4790000    
 N  -0.3270000       1.377800      0.2260000    
 N   0.3371000      -2.102900      0.6413000    
 N   -2.088200      -1.838700      0.7081000    
 C    2.849500     -0.3820000      0.3174000    
 C    3.413800     -0.6409000      -1.071200    
 C    4.894800     -0.4122000     -0.8424000    
 C    4.895700      0.7550000      0.1400000    
 C   -4.496800     -0.2475000      0.6028000    
 C   -5.468000      0.8548000       1.037100    
 C   -4.929900     -0.8900000     -0.7188000    
 C   -5.734300       1.877600     -6.7400001E-02
 C   -5.198000      0.1391000      -1.817000    
 C   -6.187500       1.206300      -1.359900    
 C    4.926100       2.111400     -0.5501000    
 C   0.3557000     -0.7724000      0.4710000    
 C  -0.7349000      8.0200002E-02  0.4074000    
 C   -2.012700     -0.4858000      0.5323000    
 C   0.9874000       1.315200      0.1799000    
 C  -0.9339000      -2.547100      0.7507000    
 H    2.922200      -1.265400      0.9638000    
 H    3.022000      8.2800001E-02  -1.796200    
 H    5.463500     -0.2285000      -1.758300    
 H    5.715500      0.6844000      0.8638000    
 H   -4.503600      -1.012300       1.390200    
 H   -5.085300       1.372200       1.925300    
 H   -6.421600      0.3940000       1.325500    
 H   -5.851900      -1.459900     -0.5448000    
 H   -4.184700      -1.609900      -1.075800    
 H   -4.832200       2.470300     -0.2589000    
 H   -6.504900       2.581700      0.2674000    
 H   -5.591000     -0.3680000      -2.705600    
 H   -4.256500      0.6161000      -2.115600    
 H   -7.172400      0.7481000      -1.206700    
 H   -6.305800       1.960700      -2.145700    
 H    4.054900       2.265600      -1.194200    
 H    5.833000       2.227800      -1.150700    
 H   -3.036000       1.283400      0.3107000    
 H    1.646200       2.161400      4.0399998E-02
 H    3.586300      -2.073700      -2.367900    
 H    5.352300      -2.309000     -0.8049000    
 H    4.105200       3.008100      0.9686000    
 H   -1.047300      -3.616700      0.8915000    


%chk=000104945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104945

0 1
O 3.709215 1.267174 0.479453
O 3.140725 -2.301295 -0.209392
O 5.525790 -1.428381 0.576811
O 5.174727 3.186720 -0.956729
N 1.491803 0.402579 0.569976
N -3.173824 0.146285 0.382812
N -0.465146 1.586551 0.752320
N 0.541479 -1.854993 0.083453
N -1.907625 -1.829830 0.009053
C 2.919742 0.051337 0.652311
C 3.381551 -0.907020 -0.483556
C 4.908180 -0.640119 -0.485386
C 5.035076 0.857668 -0.141958
C -4.480499 -0.537561 0.219829
C -5.570183 0.241654 0.995708
C -4.862664 -0.686338 -1.279159
C -5.923146 1.598106 0.333666
C -5.204823 0.670850 -1.936633
C -6.314833 1.411837 -1.152240
C 5.248425 1.779971 -1.347904
C 0.457705 -0.511038 0.353167
C -0.739449 0.236606 0.467665
C -1.967215 -0.474936 0.283095
C 0.879654 1.644547 0.815227
C -0.690561 -2.431577 -0.070859
H 3.131275 -0.412741 1.637718
H 2.926254 -0.571428 -1.439340
H 5.360135 -0.885386 -1.467369
H 5.813466 1.012788 0.624110
H -4.357380 -1.548506 0.649058
H -5.254288 0.385617 2.047044
H -6.479760 -0.390147 1.017106
H -5.745287 -1.355910 -1.336343
H -4.038226 -1.193994 -1.811675
H -5.064540 2.300341 0.399473
H -6.748970 2.077063 0.893198
H -5.520270 0.508940 -2.984917
H -4.295243 1.304963 -1.976206
H -7.254583 0.823730 -1.207352
H -6.523801 2.394241 -1.617381
H 4.504911 1.547402 -2.141724
H 6.263989 1.638647 -1.755470
H -3.154204 1.149351 0.583463
H 1.467043 2.534227 1.020841
H 2.113037 -2.401981 -0.101435
H 5.012196 -2.285383 0.606722
H 4.335013 3.306435 -0.441616
H -0.697071 -3.503767 -0.286635


