%chk=000070591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070591

0 1
 O  -0.8475000       3.100900      0.4061000    
 O   -4.207000       3.304900      -1.644800    
 N   -2.338500     -9.4999999E-02  3.5999999E-03
 N    1.729400      0.3861000       1.030900    
 N   -2.896200       2.121500     -0.1231000    
 C   -1.095500      0.6542000      0.3226000    
 C  -3.5000001E-03  0.4311000     -0.7399000    
 C  -0.6352000      0.4108000       1.771600    
 C    1.382000      0.9103000     -0.2953000    
 C   0.7939000      0.8910000       2.042900    
 C   -1.555600       2.120700      0.2185000    
 C   -3.450900      0.8077000     -0.2725000    
 C   -2.528400      -1.469200     -5.3599998E-02
 C    3.101700      0.7577000       1.378800    
 C   -3.709400       3.303300     -0.3206000    
 C    4.098200      0.2114000      0.3912000    
 C   -3.790400      -2.040000     -0.3773000    
 C   -1.471800      -2.385200      0.2073000    
 C   -3.981300      -3.420500     -0.4356000    
 C   -1.662700      -3.765700      0.1488000    
 C    4.655400      -1.041600      0.6046000    
 C    4.446000      0.9688000     -0.7186000    
 C   -2.917400      -4.283300     -0.1726000    
 C    5.579100      -1.547500     -0.3102000    
 C    5.369500      0.4629000      -1.633400    
 C    5.936000     -0.7952000      -1.429100    
 H  -0.2710000      0.9476000      -1.672000    
 H   7.9999998E-02 -0.6235000      -1.017500    
 H  -0.6870000     -0.6476000       2.041500    
 H   -1.312800      0.9141000       2.474700    
 H    2.045000      0.5328000      -1.077100    
 H    1.432900       2.005900     -0.3194000    
 H   0.8223000       1.986700       2.093800    
 H    1.084800      0.5239000       3.035400    
 H   -3.818600      0.6951000      -1.297800    
 H   -4.263000      0.6909000      0.4533000    
 H    3.352500      0.3684000       2.374800    
 H    3.215800       1.848700       1.450400    
 H   -3.113900       4.205600     -0.1553000    
 H   -4.544300       3.275200      0.3859000    
 H   -4.652400      -1.412700     -0.5910000    
 H  -0.4720000      -2.050200      0.4616000    
 H   -4.958000      -3.824300     -0.6859000    
 H  -0.8347000      -4.438300      0.3532000    
 H   -4.759400       4.099100      -1.741900    
 H    4.383000      -1.636900       1.471500    
 H    4.027600       1.957900     -0.8829000    
 H   -3.065900      -5.358200     -0.2181000    
 H    6.019900      -2.527300     -0.1514000    
 H    5.650600       1.050300      -2.502700    
 H    6.655800      -1.188700      -2.141000    


%chk=000070591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000070591

0 1
O -1.076262 3.185079 0.280120
O -4.316527 3.425052 -1.589639
N -2.416329 -0.147648 0.069393
N 1.723977 0.649424 0.854958
N -3.115708 2.044449 0.021444
C -1.187089 0.669245 0.303713
C -0.112229 0.460328 -0.813097
C -0.591113 0.448980 1.734324
C 1.244705 1.108403 -0.475719
C 0.791685 1.104035 1.918585
C -1.739468 2.111618 0.207371
C -3.625603 0.676168 -0.100761
C -2.525951 -1.548439 0.045921
C 3.120804 1.074584 1.121898
C -3.954720 3.215499 -0.185069
C 4.143458 0.360166 0.242780
C -3.804131 -2.149913 -0.186704
C -1.412366 -2.425170 0.244324
C -3.954821 -3.550828 -0.219403
C -1.581824 -3.823064 0.208328
C 4.007635 -1.021868 -0.044759
C 5.270777 1.054789 -0.260338
C -2.848645 -4.406737 -0.022686
C 4.980999 -1.694627 -0.815449
C 6.250225 0.383246 -1.028522
C 6.108635 -0.995211 -1.308262
H -0.496782 0.872444 -1.765366
H 0.039768 -0.620230 -0.967131
H -0.497422 -0.633632 1.918859
H -1.298956 0.848528 2.485408
H 1.984506 0.805599 -1.238211
H 1.155895 2.220301 -0.504132
H 0.688727 2.215643 1.922394
H 1.201754 0.798200 2.899937
H -4.104406 0.525584 -1.092021
H -4.385630 0.467367 0.685505
H 3.332057 0.839747 2.185145
H 3.250093 2.181373 1.010528
H -3.407803 4.079993 0.233762
H -4.922629 3.078135 0.322235
H -4.690419 -1.528735 -0.348217
H -0.410888 -2.030648 0.427430
H -4.950083 -3.972838 -0.401705
H -0.705225 -4.462618 0.364666
H -3.526820 3.764232 -2.082671
H 3.124548 -1.548533 0.334204
H 5.381553 2.126839 -0.052861
H -2.968982 -5.494372 -0.048633
H 4.863148 -2.762850 -1.031933
H 7.116452 0.934825 -1.411662
H 6.864532 -1.517313 -1.905880


