%chk=000038854.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038854

0 1
 O  -0.4289000      -1.986100      0.4529000    
 N   -2.293500     -0.6526000      4.2700000E-02
 N  -0.6144000       1.492600     -0.1400000    
 N   -1.995500       1.665600     -0.1713000    
 N   -3.181000      -1.718000      0.1492000    
 C  -9.7000003E-02  0.3118000     -5.1000002E-03
 C    1.378400      0.1801000     -2.2399999E-02
 C  -0.9509000     -0.9172000      0.1747000    
 C   -2.763200      0.6265000     -0.1016000    
 C    1.963700     -0.9926000     -0.4926000    
 C    2.172400       1.229600      0.4320000    
 C   -4.256600      0.8383000     -0.1718000    
 C    3.353000      -1.116600     -0.5085000    
 C    3.561700       1.105700      0.4161000    
 C    4.151900     -6.7500003E-02 -5.4200001E-02
 H    1.389800      -1.808700     -0.9182000    
 H    1.735700       2.149900      0.8102000    
 H   -4.487200       1.898300     -0.3125000    
 H   -4.723900      0.4974000      0.7569000    
 H   -4.675400      0.2736000      -1.009900    
 H    3.813600      -2.023700     -0.8889000    
 H    4.184100       1.922000      0.7708000    
 H    5.233700     -0.1627000     -6.9499999E-02
 H   -2.919800      -2.403500     -0.5585000    
 H   -3.019700      -2.159900       1.053500    


%chk=000038854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038854

0 1
O -0.613663 -2.203448 -0.348149
N -2.327031 -0.665058 -0.073515
N -0.585917 1.454365 0.144208
N -1.954077 1.675561 0.183141
N -3.207168 -1.755641 -0.273276
C -0.065900 0.204541 -0.012616
C 1.416056 0.104322 -0.024682
C -0.924419 -0.981411 -0.158455
C -2.801063 0.629254 0.065527
C 2.101780 -1.130295 -0.216401
C 2.182803 1.292953 0.163887
C -4.281855 0.869591 0.086068
C 3.513289 -1.165942 -0.217357
C 3.588515 1.247323 0.160771
C 4.263593 0.016094 -0.029742
H 1.527569 -2.047550 -0.363387
H 1.647646 2.235417 0.309162
H -4.453174 1.955201 0.060076
H -4.757611 0.466922 1.001816
H -4.766373 0.388109 -0.782909
H 4.025959 -2.122750 -0.366649
H 4.161528 2.169739 0.306991
H 5.359010 -0.017944 -0.031696
H -2.620730 -2.593658 -0.429712
H -3.897766 -1.843395 0.480898


