%chk=000060361.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060361

0 1
 O    1.674100      0.6712000       1.084400    
 O   -1.676500     -0.7465000       1.043500    
 N    6.541000     -0.4477000      -1.362300    
 N   -6.535300      0.5434000      -1.334000    
 C   0.6856000     -0.3575000       1.064600    
 C  -0.6910000      0.2785000       1.084000    
 C    2.865200      0.3974000      0.4855000    
 C   -2.873500     -0.4288000      0.4577000    
 C    3.343000     -0.9125000      0.4494000    
 C   -3.337100      0.8811000      0.5056000    
 C    3.608200       1.426900     -9.2000000E-02
 C   -3.612800      -1.419400     -0.1786000    
 C    5.306900     -0.1636000     -0.7416000    
 C   -5.303200      0.2160000     -0.7309000    
 C    4.563900      -1.193100     -0.1641000    
 C   -4.556100       1.204500     -9.0700001E-02
 C    4.829100       1.146400     -0.7056000    
 C   -4.831600      -1.096200     -0.7749000    
 H   0.7542000     -0.9798000      0.1620000    
 H   0.8104000      -1.006200       1.939900    
 H  -0.7570000      0.9538000      0.2201000    
 H  -0.8130000      0.8748000       1.996200    
 H    2.809700      -1.738400      0.9109000    
 H   -2.800800       1.673800       1.018100    
 H    3.240900       2.449200     -6.7100003E-02
 H   -3.248800      -2.442300     -0.2152000    
 H    4.928700      -2.217000     -0.1807000    
 H   -4.916100       2.229200     -4.4599999E-02
 H    5.398700       1.957300      -1.152300    
 H   -5.404500      -1.875500      -1.270900    
 H    6.888000      -1.397400      -1.388100    
 H    7.080700      0.2983000      -1.780800    
 H   -6.877800       1.494500      -1.301900    
 H   -7.077900     -0.1728000      -1.797900    


%chk=000060361-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060361

0 1
O 1.669734 0.735521 -0.064036
O -1.669025 -0.730340 -0.112932
N 7.213762 -0.433532 -0.097425
N -7.212698 0.440360 -0.071082
C 0.681164 -0.343873 -0.103130
C -0.680348 0.349085 -0.080145
C 3.033224 0.359009 -0.075083
C -3.032505 -0.353418 -0.099621
C 3.501276 -0.975235 -0.117408
C -3.500039 0.981042 -0.058926
C 3.964481 1.423884 -0.040252
C -3.964086 -1.418129 -0.130152
C 5.836330 -0.176432 -0.089895
C -5.835361 0.182841 -0.080173
C 4.889757 -1.236113 -0.124389
C -4.888427 1.242325 -0.049514
C 5.345724 1.162520 -0.047410
C -5.345231 -1.156353 -0.120585
H 0.790561 -0.947245 -1.026779
H 0.787115 -1.010738 0.776276
H -0.789197 1.012805 -0.961546
H -0.786597 0.955842 0.841705
H 2.805324 -1.819239 -0.145211
H -2.803768 1.824873 -0.033820
H 3.587757 2.451224 -0.007726
H -3.587685 -2.445633 -0.161236
H 5.239364 -2.275473 -0.157238
H -5.237676 2.281842 -0.017872
H 6.053476 2.000293 -0.019860
H -6.053286 -1.993979 -0.144565
H 7.565823 -1.385014 -0.125683
H 7.884634 0.327628 -0.072081
H -7.564438 1.391952 -0.042488
H -7.883837 -0.320699 -0.092019


