%chk=000103990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103990

0 1
 O    5.521100       2.197400     -0.3417000    
 O    3.020100     -1.5900001E-02   1.390300    
 N    4.202500     -0.3263000     -0.5885000    
 C   -2.002600     -0.1739000      0.2552000    
 C   -3.315300     -0.3041000     -0.5241000    
 C  -0.7580000     -0.3448000     -0.6195000    
 C   -4.556800     -5.9500001E-02  0.3376000    
 C   0.5232000     -0.2182000      0.2114000    
 C    5.535300     -0.2338000     -3.8100000E-02
 C   -5.866800     -0.1309000     -0.4550000    
 C    1.785300     -0.3489000     -0.6398000    
 C   -7.102600      0.1863000      0.3912000    
 C    3.054900     -0.2088000      0.1769000    
 C    5.726000       1.152400      0.6024000    
 C    6.553000     -0.4104000      -1.173200    
 C    5.729100      -1.350000      0.9972000    
 C   -8.411300      0.1029000     -0.3986000    
 C   -9.636900      0.4864000      0.4164000    
 H   -1.969100      0.8108000      0.7379000    
 H   -1.989200     -0.9210000       1.058400    
 H   -3.374200      -1.304700     -0.9696000    
 H   -3.309600      0.4128000      -1.354500    
 H  -0.7835000      -1.325600      -1.109000    
 H  -0.7600000      0.4137000      -1.411400    
 H   -4.477200      0.9290000      0.8068000    
 H   -4.584900     -0.7950000       1.150800    
 H   0.5276000     -0.9871000      0.9944000    
 H   0.5291000      0.7516000      0.7249000    
 H   -5.818400      0.5733000      -1.294800    
 H   -5.970500      -1.133600     -0.8875000    
 H    1.793100      0.4236000      -1.417900    
 H    1.802300      -1.326800      -1.135300    
 H   -7.149400     -0.5075000       1.239500    
 H   -6.999300       1.194300      0.8116000    
 H    4.102800     -0.4870000      -1.587200    
 H    6.747700       1.255800      0.9854000    
 H    5.056800       1.329300       1.449400    
 H    7.580800     -0.3198000     -0.8047000    
 H    6.451800      -1.396900      -1.641300    
 H    6.411600      0.3335000      -1.965600    
 H    5.096700      -1.222600       1.880900    
 H    6.766300      -1.374000       1.351300    
 H    5.501300      -2.332800      0.5679000    
 H   -8.541100     -0.9172000     -0.7791000    
 H   -8.350600      0.7626000      -1.272400    
 H   -9.751500     -0.1738000       1.281900    
 H   -9.558500       1.516600      0.7780000    
 H   -10.54080      0.4074000     -0.1955000    
 H    4.623100       2.093100     -0.6994000    


%chk=000103990-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103990

0 1
O 5.036845 2.225811 0.581181
O 3.155490 -0.888383 1.439205
N 4.195386 -0.319481 -0.572357
C -1.974794 0.014018 0.099535
C -3.330397 -0.432241 -0.493037
C -0.759767 -0.669326 -0.567397
C -4.543140 0.255490 0.173392
C 0.584517 -0.263292 0.074790
C 5.591965 -0.142817 -0.059448
C -5.902409 -0.213898 -0.392664
C 1.801120 -0.931059 -0.609419
C -7.114023 0.473488 0.276272
C 3.099610 -0.713863 0.180009
C 5.604907 0.956122 1.047561
C 6.451467 0.314256 -1.259059
C 6.122108 -1.471324 0.533517
C -8.474724 -0.006903 -0.278255
C -9.678916 0.684429 0.397149
H -1.876116 1.115561 0.002479
H -1.962276 -0.203548 1.187799
H -3.430395 -1.533010 -0.387078
H -3.343384 -0.222857 -1.583419
H -0.876926 -1.771482 -0.498423
H -0.750311 -0.424250 -1.650514
H -4.454792 1.355395 0.050185
H -4.516705 0.063236 1.266554
H 0.595788 -0.545515 1.144351
H 0.696582 0.839786 0.036857
H -5.930777 -0.023444 -1.486251
H -5.990352 -1.313706 -0.267060
H 1.899550 -0.579191 -1.655654
H 1.624816 -2.025111 -0.652938
H -7.081257 0.290880 1.371035
H -7.033219 1.572912 0.143153
H 4.060253 -0.201836 -1.578923
H 6.651241 1.190289 1.306837
H 5.071183 0.583235 1.941246
H 7.511407 0.377847 -0.958311
H 6.383450 -0.404874 -2.097634
H 6.135767 1.315683 -1.603112
H 5.455850 -1.830200 1.335593
H 7.133999 -1.323357 0.953966
H 6.184458 -2.247696 -0.250147
H -8.554235 -1.105307 -0.144618
H -8.506979 0.175661 -1.372010
H -9.683464 0.494668 1.487297
H -9.640629 1.780363 0.249007
H -10.639254 0.321293 -0.013250
H 4.064883 2.089448 0.446010


