%chk=000081674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081674

0 1
 O  -0.4779000       2.324700      0.6821000    
 O  -0.3135000      -1.247700      -2.351000    
 N  -0.5207000      0.5791000     -0.8885000    
 N    3.680900       1.163500      -1.102100    
 N    2.480800      -3.119100      5.4400001E-02
 C   -1.805200      0.9590000      -1.419100    
 C   -2.931400      0.5280000     -0.5411000    
 C   0.1222000       1.513400     -2.2100000E-02
 C  -5.4299999E-02 -0.7172000      -1.271100    
 C   -3.522000     -0.7219000     -0.7273000    
 C   -3.394200       1.374800      0.4660000    
 C    1.601000       1.527000      2.7200000E-02
 C   0.7593000      -1.493400     -0.3122000    
 C   -4.575400      -1.125000      9.3400002E-02
 C   -4.447500      0.9718000       1.286800    
 C   -5.038000     -0.2781000       1.100500    
 C    2.249300       1.895500       1.184400    
 C   0.5729000      -1.331300       1.043100    
 C    2.329200       1.172400      -1.080000    
 C    1.704000      -2.379000     -0.7680000    
 C    3.639600       1.898800       1.200600    
 C    1.353400      -2.075400       1.921000    
 C    4.302600       1.527800      4.1800000E-02
 C    2.284700      -2.947600       1.381000    
 H   -1.941500      0.5440000      -2.425300    
 H   -1.833600       2.049500      -1.545600    
 H   -3.172800      -1.391700      -1.508500    
 H   -2.968200       2.362400      0.6129000    
 H   -5.035600      -2.098000     -5.2000001E-02
 H   -4.812000       1.633500       2.067100    
 H   -5.859100     -0.5913000       1.738800    
 H    1.706700       2.176000       2.082100    
 H  -0.1874000     -0.6775000       1.457800    
 H    1.879700      0.9178000      -2.033100    
 H    1.891900      -2.536600      -1.824900    
 H    4.187100       2.180700       2.092600    
 H    1.230100      -1.982600       2.993900    
 H    5.386800       1.512700      2.9000000E-03
 H    2.916600      -3.552400       2.023000    


%chk=000081674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081674

0 1
O -0.353434 2.596731 0.495325
O -0.522781 -1.216756 -2.203336
N -0.496045 0.692000 -0.851154
N 3.844707 1.100915 -1.238094
N 2.311066 -3.213828 0.255506
C -1.848251 1.115293 -1.366540
C -2.993177 0.531906 -0.548051
C 0.236775 1.632338 -0.079304
C -0.096127 -0.650687 -1.157953
C -3.702960 -0.602537 -1.016160
C -3.359432 1.117369 0.692189
C 1.733547 1.538216 -0.070817
C 0.717673 -1.394647 -0.145123
C -4.763783 -1.146405 -0.256104
C -4.419195 0.573504 1.450839
C -5.124106 -0.559660 0.978808
C 2.443269 2.043198 1.047970
C 0.543311 -1.215391 1.250441
C 2.482054 1.102804 -1.197119
C 1.601759 -2.415051 -0.588694
C 3.851135 2.040221 1.022967
C 1.263999 -2.043175 2.136083
C 4.508352 1.549123 -0.131365
C 2.133856 -3.020419 1.598731
H -1.899494 0.774759 -2.413796
H -1.858754 2.216043 -1.331079
H -3.416661 -1.060405 -1.970217
H -2.806160 1.993514 1.050147
H -5.307158 -2.022700 -0.626711
H -4.700305 1.034420 2.404581
H -5.948350 -0.979002 1.566860
H 1.883564 2.433772 1.903905
H -0.162820 -0.470512 1.633159
H 1.981849 0.768017 -2.113382
H 1.739824 -2.590120 -1.661092
H 4.433910 2.410162 1.871782
H 1.147262 -1.946004 3.219539
H 5.602208 1.514847 -0.185642
H 2.707375 -3.685253 2.254398


