%chk=000058179.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058179

0 1
 O   -2.335000      -1.848600     -0.1616000    
 N    5.979300     -0.2295000     -0.1256000    
 N  -0.3778000      6.4599998E-02 -0.5392000    
 N   -1.718400      0.3764000     -0.3929000    
 N   -6.691300      0.5126000      0.1608000    
 C    1.866000      0.4855000      0.3348000    
 C    4.597800      1.0500000E-02  2.8600000E-02
 C   0.4055000      0.7395000      0.4983000    
 C    2.639800       1.344000     -0.4459000    
 C    2.458000     -0.6105000      0.9626000    
 C    4.005800       1.106400     -0.5992000    
 C    3.824000     -0.8479000      0.8094000    
 C    6.896800      0.8729000     -0.3333000    
 C    6.500700      -1.580400     -6.4099997E-02
 C   -2.622300     -0.6550000     -0.2083000    
 C   -4.045400     -0.2465000     -7.9400003E-02
 C   -5.028700      -1.133600     -0.4481000    
 C   -4.337200       1.006300      0.4051000    
 C   -6.339000     -0.7053000     -0.3085000    
 C   -5.678500       1.338800      0.5064000    
 H   8.4600002E-02  0.3976000       1.491400    
 H   0.2203000       1.822200      0.4768000    
 H    2.189700       2.199000     -0.9437000    
 H    1.866100      -1.286300       1.574500    
 H    4.577300       1.787000      -1.223900    
 H    4.255400      -1.703300       1.321500    
 H  -9.8099999E-02  0.4127000      -1.456300    
 H    6.873700       1.205900      -1.376200    
 H    7.927300      0.5783000     -0.1049000    
 H    6.659900       1.720600      0.3198000    
 H    7.494200      -1.641400     -0.5225000    
 H    5.860100      -2.283400     -0.6086000    
 H    6.596800      -1.912700      0.9749000    
 H   -1.985600       1.348600     -0.5078000    
 H   -4.816400      -2.122900     -0.8362000    
 H   -3.593900       1.721800      0.7344000    
 H   -7.166700      -1.351900     -0.5811000    
 H   -5.983500       2.307900      0.8877000    


%chk=000058179-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058179

0 1
O -2.186757 -1.797956 0.236653
N 6.041761 -0.316164 -0.059052
N -0.376593 0.220562 -0.634238
N -1.769755 0.376094 -0.558821
N -6.851479 0.292489 0.259075
C 1.895936 0.734848 0.148522
C 4.686402 0.028601 0.005172
C 0.424892 1.099257 0.254908
C 2.886625 1.714477 -0.099477
C 2.319729 -0.609130 0.314679
C 4.254316 1.381917 -0.167957
C 3.678322 -0.962210 0.244325
C 7.051792 0.721144 -0.294961
C 6.454550 -1.712738 0.121461
C -2.591950 -0.643973 -0.072983
C -4.056529 -0.264567 0.029180
C -5.019312 -1.297970 -0.079707
C -4.521866 1.052127 0.278225
C -6.388484 -0.975969 0.033329
C -5.913904 1.277355 0.385079
H 0.046542 0.935828 1.282619
H 0.292856 2.184936 0.024654
H 2.588919 2.762105 -0.238779
H 1.563283 -1.382611 0.490507
H 4.982172 2.175334 -0.359137
H 3.956723 -2.011292 0.378762
H -0.025404 0.144005 -1.596519
H 6.903872 1.229242 -1.270469
H 8.053581 0.263238 -0.301967
H 7.038801 1.498115 0.497268
H 7.549943 -1.785572 0.031273
H 6.006179 -2.378187 -0.644616
H 6.168486 -2.103605 1.119723
H -2.205734 1.258117 -0.861995
H -4.684856 -2.327588 -0.237004
H -3.832375 1.890082 0.430528
H -7.156322 -1.752351 -0.055083
H -6.303062 2.281907 0.586521


