%chk=000153594.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153594

0 1
 O   -2.010700      -4.939000     -0.4757000    
 N   -4.096900      3.2900002E-02  0.5063000    
 N    1.783500       1.910700     -0.8560000    
 N   0.8369000       4.020200     -0.4225000    
 N    4.830600     -0.8298000      0.4320000    
 N    6.661000      -1.977000      0.8715000    
 C   -1.940000      3.4899998E-02 -5.3800002E-02
 C   -3.012100      0.8518000      0.2973000    
 C   -2.906000       2.245000      0.3934000    
 C   -2.412300      -1.316200     -5.0999999E-02
 C  -0.5596000       2.036400     -0.2350000    
 C   -1.661100       2.838800      0.1225000    
 C   -3.761300      -1.284600      0.3022000    
 C  -0.6936000      0.6371000     -0.3243000    
 C   0.6506000       2.682900     -0.4924000    
 C   -1.814000      -2.565700     -0.3174000    
 C   -4.098900       3.065300      0.7750000    
 C    3.117700       2.398600     -0.7338000    
 C   -1.489100       4.225300      0.2006000    
 C   -4.545100      -2.439700      0.4032000    
 C    4.115600       1.244600     -0.7222000    
 C   -2.584700      -3.729900     -0.2206000    
 C    3.875400      0.2742000      0.4364000    
 C   -3.929900      -3.665300      0.1346000    
 C  -0.2391000       4.756800     -7.7200003E-02
 C    4.666300      -2.016100     -0.2042000    
 C    6.031200     -0.8392000       1.064000    
 C    5.815700      -2.715000      8.1299998E-02
 C  -0.6304000      -4.938100     -0.8343000    
 H   0.1375000     -9.9999998E-03 -0.5872000    
 H   -5.019600      0.3450000      0.7737000    
 H  -0.7653000      -2.556200     -0.5888000    
 H   -3.901500       3.619600       1.698900    
 H   -4.348700       3.770900     -2.4700001E-02
 H   -4.993600       2.463200      0.9544000    
 H    3.240700       2.970800      0.1944000    
 H    3.348300       3.071600      -1.567500    
 H   -2.290300       4.905600      0.4693000    
 H    1.617400       1.139500      -1.493500    
 H    5.132400       1.651800     -0.6591000    
 H    4.057700      0.6997000      -1.673500    
 H   -5.592900      -2.390100      0.6798000    
 H    3.971400      0.7839000       1.402100    
 H    2.876300     -0.1740000      0.3921000    
 H   -4.516800      -4.578100      0.2063000    
 H  -6.8400003E-02   5.827200     -2.6699999E-02
 H    3.788000      -2.261400     -0.7849000    
 H    6.401400     -4.9999999E-03   1.644400    
 H    6.077400      -3.711900     -0.2421000    
 H  -0.3398000      -5.980500      -1.001700    
 H  -2.4999999E-03  -4.559500     -2.0600000E-02
 H  -0.4584000      -4.404800      -1.775500    


%chk=000153594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153594

0 1
O -3.732809 -5.018161 -1.621772
N -4.187225 -0.020206 0.869172
N 1.800174 0.866433 -1.425304
N 1.478522 2.941768 -0.401201
N 5.502690 0.811830 1.080028
N 7.606502 0.633985 1.923270
C -2.177551 -0.351317 -0.212325
C -2.955801 0.587106 0.574688
C -2.484633 1.860050 0.927632
C -2.993805 -1.549857 -0.382198
C -0.364222 1.283485 -0.299727
C -1.165679 2.217673 0.479859
C -4.229185 -1.309552 0.301117
C -0.894000 0.005660 -0.640512
C 0.975613 1.720152 -0.701082
C -2.776383 -2.782243 -1.046383
C -3.322249 2.827719 1.742594
C 3.115704 1.258681 -1.954030
C -0.593555 3.505552 0.775241
C -5.253938 -2.278653 0.336023
C 4.311906 0.725156 -1.127676
C -3.804904 -3.751135 -1.009785
C 4.363252 1.325819 0.295839
C -5.029840 -3.500148 -0.324945
C 0.685228 3.809658 0.318911
C 5.552045 -0.396381 1.788709
C 6.765441 1.391095 1.187538
C 6.849241 -0.487102 2.302642
C -2.505574 -5.343420 -2.346371
H -0.321799 -0.710656 -1.241480
H -4.937379 0.401970 1.409440
H -1.834899 -2.968893 -1.571053
H -2.813405 3.109618 2.683515
H -3.515951 3.763403 1.184943
H -4.303811 2.405396 2.018331
H 3.135631 2.361498 -1.975196
H 3.202737 0.889759 -2.994477
H -1.152284 4.246619 1.351463
H 1.466943 -0.072101 -1.633757
H 5.248575 0.974002 -1.664605
H 4.266397 -0.379869 -1.059810
H -6.199867 -2.099536 0.857670
H 4.441197 2.425362 0.239088
H 3.427326 1.102825 0.835705
H -5.789530 -4.287367 -0.330090
H 1.137991 4.785829 0.525884
H 4.688070 -1.050910 1.873358
H 7.011630 2.347927 0.732084
H 7.278935 -1.273868 2.918485
H -2.661069 -6.359588 -2.737683
H -1.624512 -5.334954 -1.674075
H -2.335487 -4.642914 -3.188189


