%chk=000047303.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047303

0 1
 O   -1.564400      0.1135000     -7.7999998E-03
 O   -2.316600      -2.011800      0.4578000    
 N   -6.410000      0.8309000     -0.1734000    
 C    2.168200      0.4590000     -9.8200001E-02
 C    3.975300     -0.5560000       1.360700    
 C    3.974300     -0.9960000      -1.120700    
 C    4.556500       1.295200     -0.2475000    
 C    2.492800     -0.1509000       1.286100    
 C    2.491800     -0.5897000      -1.188500    
 C    3.072300       1.695100     -0.3179000    
 C    4.272600      -1.592900      0.2647000    
 C    4.851700      0.6869000       1.133500    
 C    4.850700      0.2491000      -1.335400    
 C   0.6926000      0.8608000     -0.1688000    
 C  -0.2164000     -0.3248000      9.0300001E-02
 C   -2.519200     -0.8355000      0.1992000    
 C   -3.878600     -0.2530000      6.8099998E-02
 C   -4.906700      -1.051700     -0.3749000    
 C   -4.072200       1.068800      0.3946000    
 C   -6.155900     -0.4614000     -0.4786000    
 C   -5.358700       1.564200      0.2565000    
 H    4.192600     -0.9859000       2.345100    
 H    4.190700      -1.738000      -1.897500    
 H    5.185000       2.178800     -0.4044000    
 H    1.903800      -1.052200       1.485200    
 H    2.262900      0.5668000       2.083800    
 H    2.262700     -0.1881000      -2.183900    
 H    1.898100      -1.501700      -1.068400    
 H    2.861000       2.459800      0.4408000    
 H    2.859800       2.152000      -1.293100    
 H    5.323000      -1.904400      0.3195000    
 H    3.665700      -2.492500      0.4245000    
 H    4.660400       1.428900       1.918500    
 H    5.912200      0.4152000       1.204000    
 H    5.911100     -3.0400001E-02  -1.308900    
 H    4.658800      0.6759000      -2.327500    
 H   0.4563000       1.295500      -1.148900    
 H   0.4719000       1.650700      0.5612000    
 H  -7.3500000E-02  -1.119100     -0.6466000    
 H  -7.9400003E-02 -0.7283000       1.096900    
 H   -4.768000      -2.093700     -0.6383000    
 H   -3.283000       1.716700      0.7577000    
 H   -7.012800      -1.031500     -0.8222000    
 H   -5.585200       2.597300      0.4990000    


%chk=000047303-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047303

0 1
O -1.637995 0.077249 0.047909
O -2.495738 -2.085007 0.215899
N -6.609953 0.967193 -0.233214
C 2.213512 0.335310 -0.005969
C 4.163864 -0.640250 1.333433
C 4.118481 -0.892328 -1.192021
C 4.553978 1.376673 -0.150528
C 2.637166 -0.352668 1.328210
C 2.592351 -0.604007 -1.192061
C 3.028957 1.658003 -0.151814
C 4.512051 -1.578054 0.145096
C 4.948301 0.691298 1.185764
C 4.902240 0.439711 -1.338659
C 0.701301 0.698954 -0.018316
C -0.253330 -0.485951 0.137465
C -2.676373 -0.847997 0.095529
C -4.016570 -0.190021 -0.017669
C -5.176303 -1.003296 0.005857
C -4.172575 1.211954 -0.150150
C -6.440151 -0.384317 -0.104223
C -5.479924 1.737463 -0.253505
H 4.439185 -1.131410 2.287781
H 4.363066 -1.563283 -2.039233
H 5.103568 2.333098 -0.255511
H 2.089029 -1.307463 1.460667
H 2.369134 0.300611 2.184344
H 2.293766 -0.130323 -2.150361
H 2.040974 -1.563016 -1.117372
H 2.770419 2.343538 0.681744
H 2.739768 2.168812 -1.093665
H 5.596636 -1.806730 0.148335
H 3.974327 -2.542069 0.251052
H 4.722079 1.362776 2.038645
H 6.038755 0.493203 1.204887
H 5.992131 0.238579 -1.357964
H 4.642587 0.930728 -2.298355
H 0.464890 1.213347 -0.971501
H 0.497540 1.422640 0.796489
H -0.143262 -1.240728 -0.660942
H -0.157332 -0.994491 1.112881
H -5.076738 -2.088165 0.106897
H -3.297350 1.865807 -0.171459
H -7.359572 -0.979666 -0.090579
H -5.642690 2.815894 -0.357510


