%chk=000089818.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089818

0 1
 O   -5.993000     -0.5792000      0.2951000    
 N    5.841100     -0.3974000     -0.1437000    
 N   -4.737200     -0.8375000      0.1310000    
 N  -0.1931000      0.6437000     -0.5318000    
 N   0.3804000      0.6009000      0.5803000    
 C   -2.484300     -0.1523000     -0.1956000    
 C   -3.849500      0.1639000     -1.7800000E-02
 C   -1.561500      0.8938000     -0.3515000    
 C    4.465800     -0.1463000      4.0399998E-02
 C   -2.105600      -1.501600     -0.2097000    
 C   -4.270800       1.497100      2.7000001E-03
 C   -1.989500       2.223000     -0.3302000    
 C   -3.339900       2.523200     -0.1535000    
 C    1.751500      0.3500000      0.4000000    
 C    3.994500       1.166200      6.9100000E-02
 C    3.576600      -1.210000      0.1920000    
 C   -3.062800      -2.497800     -5.1100001E-02
 C   -4.387400      -2.130700      0.1193000    
 C    2.633900       1.415000      0.2494000    
 C    2.215900     -0.9614000      0.3722000    
 C    6.830200      0.5539000      0.3233000    
 C    6.284800      -1.616700     -0.7899000    
 H   -1.070000      -1.801400     -0.3474000    
 H   -5.314400       1.768400      0.1378000    
 H   -1.276500       3.034800     -0.4517000    
 H   -3.666800       3.559000     -0.1380000    
 H    4.658200       2.016700     -5.8100000E-02
 H    3.911700      -2.243300      0.1867000    
 H   -2.777300      -3.544300     -6.2100001E-02
 H   -5.187200      -2.845400      0.2479000    
 H    2.274400       2.440400      0.2683000    
 H    1.530300      -1.795800      0.4932000    
 H    6.575200      0.9431000       1.315600    
 H    6.925100       1.390400     -0.3771000    
 H    7.817200      8.6400002E-02  0.4130000    
 H    6.262500      -2.457800     -8.9000002E-02
 H    7.313700      -1.518700      -1.154100    
 H    5.665100      -1.858000      -1.660900    


%chk=000089818-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089818

0 1
O -6.391910 0.043690 -0.535768
N 6.061890 -0.374246 -0.195079
N -5.122240 -0.159808 -0.892755
N -0.328994 0.074697 0.168997
N 0.583612 0.378065 1.070951
C -2.698283 -0.044734 -0.365013
C -4.068942 0.173906 0.018140
C -1.671059 0.307914 0.594094
C 4.711147 -0.197005 0.091232
C -2.404876 -0.593164 -1.653481
C -4.419072 0.714323 1.280642
C -2.033587 0.845641 1.847942
C -3.396263 1.045771 2.183963
C 1.921483 0.162363 0.671531
C 3.699893 -0.502449 -0.887128
C 4.279618 0.295446 1.368722
C -3.466177 -0.904839 -2.510684
C -4.807555 -0.686274 -2.123850
C 2.343926 -0.327615 -0.602566
C 2.917567 0.468408 1.641940
C 6.483645 -0.882456 -1.509880
C 7.078821 -0.058005 0.819583
H -1.362314 -0.753409 -1.931761
H -5.479033 0.854329 1.505749
H -1.233165 1.101928 2.548282
H -3.655904 1.464885 3.162114
H 3.988803 -0.877669 -1.872915
H 5.010663 0.540902 2.143229
H -3.284528 -1.326023 -3.503844
H -5.669169 -0.911483 -2.753604
H 1.580056 -0.561952 -1.350370
H 2.585449 0.844156 2.615678
H 6.161782 -0.211091 -2.330434
H 6.072925 -1.892044 -1.709225
H 7.581832 -0.951392 -1.539495
H 7.041304 1.009054 1.116072
H 8.080315 -0.262215 0.411013
H 6.949642 -0.673304 1.732078


