%chk=000031349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031349

0 1
 O  -6.3199997E-02 -0.7755000       2.576300    
 N   -4.715400     -0.9296000      -1.499200    
 N    4.497100      -1.437000      -1.526700    
 N   0.4682000       4.613600      0.4070000    
 C  -5.7000000E-02 -0.3364000      0.1731000    
 C   -1.349800     -0.5900000     -0.6631000    
 C    1.191300     -0.7314000     -0.6761000    
 C   6.1099999E-02   1.156700      0.6128000    
 C  -8.6499996E-02  -1.242800       1.434700    
 C   -2.679800     -0.3362000      5.9400000E-02
 C    2.545700     -0.6193000      3.8199998E-02
 C   0.1507000       2.176600     -0.5331000    
 C  -0.1093000      -2.742900       1.253400    
 C   -3.817200     -0.6679000     -0.8127000    
 C    3.635900      -1.076700     -0.8375000    
 C   0.3281000       3.538600     -6.6000000E-03
 H   -1.317900      1.8100001E-02  -1.576700    
 H   -1.346800      -1.626800      -1.026200    
 H    1.217600     -0.1424000      -1.601700    
 H    1.073000      -1.767100      -1.024700    
 H  -0.7948000       1.418100       1.250000    
 H   0.9314000       1.281400       1.271300    
 H   -2.742100     -0.9377000      0.9722000    
 H   -2.756200      0.7149000      0.3556000    
 H    2.553400      -1.214500      0.9568000    
 H    2.743400      0.4192000      0.3220000    
 H   0.9961000       1.955400      -1.190700    
 H  -0.7579000       2.148400      -1.142600    
 H   0.8268000      -3.092700      0.8149000    
 H  -0.9575000      -3.047200      0.6386000    
 H  -0.2229000      -3.219000       2.232600    


%chk=000031349-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031349

0 1
O -0.246196 -0.749051 2.587484
N -4.780102 -0.867584 -1.468813
N 4.520396 -1.560141 -1.532301
N 0.382053 4.658089 0.441986
C -0.049414 -0.343935 0.172315
C -1.341348 -0.589309 -0.685077
C 1.167138 -0.775641 -0.710421
C 0.060576 1.136820 0.646321
C -0.127271 -1.255251 1.440044
C -2.674267 -0.297860 0.062965
C 2.551633 -0.577270 -0.027769
C 0.169111 2.174915 -0.505737
C -0.062208 -2.769988 1.269015
C -3.843485 -0.608186 -0.776876
C 3.646314 -1.117062 -0.851928
C 0.288516 3.549509 0.011514
H -1.295306 0.035701 -1.596650
H -1.354061 -1.636233 -1.040150
H 1.150192 -0.209155 -1.660543
H 1.057318 -1.838609 -0.992399
H -0.804111 1.385222 1.284776
H 0.932589 1.241769 1.315867
H -2.741235 -0.893157 0.993662
H -2.734300 0.764050 0.365597
H 2.577007 -1.075836 0.960744
H 2.751728 0.494518 0.157108
H 1.049756 1.971966 -1.144783
H -0.718016 2.135691 -1.166560
H 0.981538 -3.091074 1.084542
H -0.665581 -3.133431 0.418992
H -0.403463 -3.251578 2.198374


