%chk=000074481.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074481

0 1
 O   -2.402500       1.610700       1.499900    
 N   0.4425000      0.2821000     -0.9321000    
 N   -3.414200      -1.169900      2.2200000E-02
 N   -3.973900       1.572700     -0.1803000    
 C   -2.329300     -0.1940000     -7.7900000E-02
 C   -1.120400     -0.6736000      0.7353000    
 C   -1.940800      4.1999999E-03  -1.548300    
 C   0.1162000      0.2012000      0.4976000    
 C  -0.6727000      0.8530000      -1.698800    
 C   -2.884600       1.082900      0.5007000    
 C    1.658600       1.069400      -1.135100    
 C   -3.807900      -1.353800       1.418400    
 C   -3.009300      -2.445000     -0.5676000    
 C    2.820200      0.4399000     -0.4172000    
 C    3.092700      0.8031000      0.8955000    
 C    3.606300     -0.4973000      -1.075000    
 C    4.170100      0.2191000       1.561700    
 C    4.683500      -1.081400     -0.4086000    
 C    4.965400     -0.7232000      0.9097000    
 H  -0.8072000      -1.690700      0.4838000    
 H   -1.309300     -0.6652000       1.816000    
 H   -2.742500      0.4539000      -2.145100    
 H   -1.690500     -0.9379000      -2.045800    
 H  -1.7000001E-02   1.198500      0.9328000    
 H   0.9001000     -0.3061000       1.065600    
 H  -0.4104000      0.8848000      -2.763800    
 H  -0.8756000       1.886000      -1.387700    
 H    1.529700       2.107800     -0.7992000    
 H    1.896900       1.127600      -2.205600    
 H   -4.120400     -0.4352000       1.924200    
 H   -4.697800      -1.996100       1.447500    
 H   -3.053900      -1.858400       2.031900    
 H   -2.149600      -2.942000     -0.1139000    
 H   -3.840400      -3.153600     -0.4416000    
 H   -2.889500      -2.408100      -1.653100    
 H   -4.429100       2.428900      0.1183000    
 H   -4.398600       1.087000     -0.9632000    
 H    2.495200       1.549200       1.412000    
 H    3.394900     -0.7853000      -2.101000    
 H    4.392300      0.5010000       2.586700    
 H    5.302800      -1.815300     -0.9160000    
 H    5.804800      -1.177300       1.428100    


%chk=000074481-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074481

0 1
O -2.500471 2.013692 1.047347
N 0.483656 0.481948 -0.641645
N -3.469971 -1.263286 -0.161400
N -4.351256 1.252557 -0.141034
C -2.377272 -0.214358 -0.094728
C -1.208685 -0.599267 0.862993
C -1.781672 0.031579 -1.516285
C 0.028588 0.320522 0.766257
C -0.605486 1.025613 -1.490527
C -3.070822 1.118908 0.351388
C 1.726834 1.282249 -0.735900
C -3.988753 -1.644947 1.179316
C -3.190266 -2.469527 -0.974302
C 2.955915 0.548370 -0.204456
C 3.977930 1.255571 0.475022
C 3.119341 -0.842322 -0.427946
C 5.146981 0.592040 0.914604
C 4.283129 -1.509272 0.013679
C 5.304075 -0.793992 0.684294
H -0.899652 -1.634057 0.612079
H -1.556163 -0.590985 1.911849
H -2.574200 0.382488 -2.203375
H -1.377798 -0.921773 -1.901165
H -0.219268 1.305498 1.220397
H 0.857070 -0.129324 1.343626
H -0.217010 1.146525 -2.519829
H -0.949426 2.028990 -1.139308
H 1.634613 2.267659 -0.211564
H 1.884984 1.512232 -1.809818
H -4.211834 -0.740229 1.770468
H -4.928681 -2.212921 1.053626
H -3.283394 -2.277175 1.765050
H -2.306874 -3.055733 -0.625747
H -4.072679 -3.132557 -0.919849
H -3.039182 -2.208038 -2.033201
H -4.883327 2.099669 0.051639
H -4.758163 0.423984 -0.588939
H 3.856648 2.329844 0.664619
H 2.314564 -1.383081 -0.938762
H 5.928515 1.152988 1.440100
H 4.396570 -2.585226 -0.164301
H 6.207693 -1.311258 1.026729


