%chk=000097821.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097821

0 1
 O    3.774100      0.7622000      -1.323300    
 N    4.512400       2.237900      0.2645000    
 C   -1.166800       2.127400       1.023900    
 C   -2.323300       1.704000       1.932400    
 C   7.2499998E-02   1.264900       1.274900    
 C   -1.128400      -2.664500     -0.9157000    
 C   -2.387700      -1.823300     -0.6917000    
 C   -3.592400       2.545400       1.751100    
 C    1.272500       1.660600      0.4120000    
 C  -0.4208000      -2.966900      0.4069000    
 C   -3.117500      -1.553900      -2.011400    
 C   -4.192400       2.555200      0.3403000    
 C   0.8364000      -3.826500      0.2416000    
 C   -4.368700     -0.6860000      -1.838700    
 C    2.525100      0.8446000      0.7141000    
 C    1.595800      -4.145700       1.531600    
 C   -4.532500       1.185500     -0.1720000    
 C   -4.053300      0.6870000      -1.321500    
 C    3.663700       1.333100     -0.1034000    
 C    2.797700      -5.052300       1.319100    
 C    4.780000       1.521200      -1.974500    
 C    5.453400       2.290100     -0.8601000    
 H  -0.9257000       3.181700       1.203900    
 H   -1.452000       2.034100     -2.9200001E-02
 H   -2.005800       1.787600       2.979400    
 H   -2.555400      0.6453000       1.766800    
 H  -0.1733000      0.2155000       1.086300    
 H   0.3539000       1.339700       2.332700    
 H   -1.397200      -3.606300      -1.409100    
 H  -0.4422000      -2.131800      -1.585000    
 H   -2.099100     -0.8792000     -0.2178000    
 H   -3.063000      -2.341400     -3.0000001E-04
 H   -3.376200       3.581100       2.042000    
 H   -4.348700       2.180400       2.458000    
 H    1.487900       2.726300      0.5633000    
 H    1.009300       1.549800     -0.6477000    
 H   -1.115900      -3.482900       1.080700    
 H  -0.1439000      -2.029000      0.8989000    
 H   -2.431400      -1.069900      -2.718100    
 H   -3.413600      -2.508800      -2.463000    
 H   -5.115800       3.147100      0.3620000    
 H   -3.515000       3.076200     -0.3464000    
 H   0.5519000      -4.770100     -0.2413000    
 H    1.520900      -3.319600     -0.4506000    
 H   -5.079100      -1.199400      -1.179400    
 H   -4.863300     -0.5807000      -2.811700    
 H    2.793100      0.9302000       1.773200    
 H    2.356100     -0.2177000      0.5043000    
 H   0.9130000      -4.625100       2.243000    
 H    1.930700      -3.209700       1.994100    
 H   -5.203000      0.5834000      0.4358000    
 H   -3.389700       1.295700      -1.930900    
 H    2.491700      -6.013500      0.8941000    
 H    3.519400      -4.589800      0.6383000    
 H    3.301900      -5.245300       2.271100    
 H    4.304500       2.186200      -2.703200    
 H    5.476100      0.8603000      -2.499300    
 H    6.396700       1.816500     -0.5667000    
 H    5.667800       3.321400      -1.156400    


%chk=000097821-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097821

0 1
O 3.181646 0.008669 -0.979528
N 4.611733 1.274529 0.362186
C -1.373063 2.207759 1.186442
C -2.626795 1.910651 2.040832
C -0.138938 1.401190 1.651209
C -0.942725 -2.437775 -1.067380
C -2.332761 -1.830766 -0.770854
C -3.856944 2.790014 1.710610
C 1.060890 1.509044 0.685298
C -0.141605 -2.788377 0.207047
C -3.155730 -1.542543 -2.046280
C -4.352260 2.692561 0.238264
C 1.312995 -3.222130 -0.084722
C -4.458047 -0.734948 -1.780290
C 2.300915 0.733113 1.208382
C 2.107994 -3.595724 1.187216
C -4.666355 1.275126 -0.198740
C -4.177714 0.681520 -1.319301
C 3.440315 0.716837 0.232588
C 3.577562 -3.965923 0.891419
C 4.431200 0.146027 -1.801060
C 5.391465 0.982819 -0.888930
H -1.142778 3.293225 1.221059
H -1.586360 1.963056 0.126502
H -2.373931 2.040487 3.113682
H -2.896244 0.842424 1.909317
H -0.424323 0.332622 1.753660
H 0.163657 1.740712 2.663829
H -1.058409 -3.349137 -1.691077
H -0.356567 -1.717696 -1.676171
H -2.203843 -0.887446 -0.201513
H -2.906365 -2.515360 -0.111021
H -3.623223 3.851396 1.933223
H -4.689975 2.504417 2.385672
H 1.332778 2.573210 0.538303
H 0.775173 1.109253 -0.306613
H -0.667117 -3.591242 0.765812
H -0.127421 -1.903508 0.879290
H -2.526571 -0.977706 -2.766192
H -3.414123 -2.499750 -2.543066
H -5.262283 3.322577 0.145104
H -3.599852 3.129599 -0.446598
H 1.307247 -4.089468 -0.778262
H 1.837555 -2.399147 -0.612732
H -5.081077 -1.260542 -1.029303
H -5.048502 -0.705481 -2.720604
H 2.668514 1.180723 2.147355
H 2.004534 -0.312705 1.422150
H 1.605749 -4.440975 1.701162
H 2.079997 -2.742730 1.897438
H -5.337575 0.699291 0.460173
H -3.502182 1.264435 -1.969108
H 3.638009 -4.832051 0.205239
H 4.104557 -3.119374 0.411254
H 4.126346 -4.227164 1.815162
H 4.155681 0.655805 -2.738953
H 4.797748 -0.870883 -2.016934
H 6.309400 0.430027 -0.621907
H 5.693397 1.935737 -1.357839


