%chk=000126424.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126424

0 1
 O    2.448700       2.154800     -0.4193000    
 O   -2.373300      -2.117500      0.4559000    
 N    1.658500     -0.7567000     -0.4020000    
 N   -1.689500      0.8230000      0.3728000    
 N    3.132000      -2.404400     -6.5899998E-02
 N   -3.202300       2.410300      2.0900000E-02
 N    5.049000     -0.9367000      0.1825000    
 N   -5.074000      0.8787000     -0.1838000    
 N    4.600700       1.433600     -1.6600000E-02
 N   -4.550100      -1.472000      5.7799999E-02
 N    6.751700      0.5972000      0.3913000    
 N   -6.729200     -0.7114000     -0.3491000    
 C   0.3882000     -0.1186000     -0.6510000    
 C  -0.3833000      0.2233000      0.6256000    
 C    2.870600     -0.1522000     -0.2280000    
 C   -2.868800      0.1710000      0.2232000    
 C    3.745600      -1.188700     -2.5500000E-02
 C   -3.777600       1.175500      8.3999997E-03
 C    1.867500      -2.110200     -0.2958000    
 C   -1.927400       2.160400      0.2456000    
 C    3.240000       1.236800     -0.2379000    
 C   -3.194200      -1.228400      0.2625000    
 C    5.407800      0.4100000      0.1736000    
 C   -5.390300     -0.4780000     -0.1453000    
 H  -0.2009000     -0.8055000      -1.272100    
 H   0.5568000      0.7713000      -1.266200    
 H   0.1840000      0.9424000       1.230000    
 H  -0.5296000     -0.6577000       1.259000    
 H    1.063500      -2.827300     -0.3929000    
 H   -1.145900       2.904300      0.3224000    
 H    5.745000      -1.658200      0.3384000    
 H   -5.793700       1.574900     -0.3472000    
 H    7.378500     -0.1863000      0.5384000    
 H    7.154900       1.527600      0.4112000    
 H   -7.103100      -1.654100     -0.3479000    
 H   -7.381400      4.9100000E-02 -0.5065000    


%chk=000126424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126424

0 1
O 2.268417 2.100348 -0.217297
O -2.267861 -2.099416 0.214413
N 1.574882 -0.955832 -0.409584
N -1.579537 0.958225 0.405076
N 3.190874 -2.553406 -0.129570
N -3.198882 2.552691 0.126750
N 5.073767 -0.955133 0.170849
N -5.079165 0.950932 -0.171030
N 4.504537 1.397810 0.070770
N -4.505576 -1.400933 -0.070856
N 6.719190 0.736224 0.399647
N -6.721887 -0.743466 -0.396777
C 0.254657 -0.348541 -0.643426
C -0.258012 0.353347 0.637812
C 2.783977 -0.266725 -0.200768
C -2.787651 0.266776 0.197932
C 3.738368 -1.284941 -0.043465
C -3.744102 1.283196 0.041532
C 1.869188 -2.310322 -0.350933
C -1.876477 2.312113 0.346442
C 3.121137 1.155852 -0.127417
C -3.122353 -1.156430 0.125367
C 5.391431 0.409390 0.206070
C -5.394443 -0.414164 -0.205334
H -0.447685 -1.152226 -0.920529
H 0.337122 0.390896 -1.457713
H 0.443443 1.158220 0.913825
H -0.338380 -0.385769 1.452613
H 1.106801 -3.076752 -0.467945
H -1.115491 3.080062 0.462616
H 5.762700 -1.698759 0.296130
H -5.769661 1.693295 -0.295188
H 7.461901 0.048376 0.487428
H 6.937532 1.729173 0.429174
H -6.938469 -1.736818 -0.425734
H -7.465891 -0.056993 -0.484382


