%chk=000045974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045974

1 1
 O    2.491800      0.3015000     -0.8168000    
 O    2.870900      0.3193000       1.465700    
 N   -2.859000       1.612600      0.1834000    
 N    4.641100     -0.1578000      3.4299999E-02
 C   -2.085800      -1.199100      4.4900000E-02
 C   -2.193200      -2.109100      -1.191800    
 C   -1.778000      -2.139100       1.229000    
 C   -2.431900      -3.501300     -0.6273000    
 C   -1.562800      -3.518900      0.6177000    
 C   -1.086000     -8.0200002E-02 -0.1443000    
 C   -1.478600       1.257600     -7.4000001E-02
 C   0.2497000     -0.3999000     -0.3939000    
 C  -0.5386000       2.272400     -0.2527000    
 C   -3.355100       1.038800       1.540400    
 C   -3.881900       1.093800     -0.8744000    
 C   -3.057600       3.153900      0.2164000    
 C    1.189900      0.6149000     -0.5727000    
 C   0.7957000       1.951000     -0.5021000    
 C    3.311200      0.1643000      0.3271000    
 C    5.605800     -0.3317000       1.110900    
 C    5.152500     -0.3430000      -1.319800    
 H   -3.089000     -0.9024000      0.2842000    
 H   -1.275100      -2.118400      -1.790600    
 H   -3.001600      -1.803100      -1.863500    
 H   -2.640100      -2.176800       1.908100    
 H  -0.9172000      -1.829400       1.830900    
 H   -2.161000      -4.289200      -1.335900    
 H   -3.487300      -3.627000     -0.3584000    
 H   -1.837200      -4.323600       1.305900    
 H  -0.5097000      -3.650300      0.3430000    
 H   0.5753000      -1.435800     -0.4460000    
 H  -0.7531000       3.333700     -0.2178000    
 H   -4.194200      0.3525000       1.394800    
 H   -2.526100      0.5767000       2.084200    
 H   -3.719600       1.873900       2.148900    
 H   -4.042600      2.3900000E-02 -0.8927000    
 H   -3.524100       1.428800      -1.854000    
 H   -4.846200       1.570000     -0.6633000    
 H   -4.114200       3.350800      0.4322000    
 H   -2.820700       3.569700     -0.7684000    
 H   -2.459200       3.578000       1.029700    
 H    1.524200       2.745300     -0.6420000    
 H    6.416600      0.3902000      0.9772000    
 H    6.007800      -1.347800       1.062600    
 H    5.149500     -0.1762000       2.091700    
 H    5.548300      -1.358900      -1.408000    
 H    5.956600      0.3784000      -1.491600    
 H    4.379900     -0.1979000      -2.077300    


%chk=000045974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045974

1 1
O 2.610454 0.717983 -0.271222
O 2.740679 -1.629554 0.120868
N -3.061970 1.704990 -0.084951
N 4.663016 -0.329389 -0.236150
C -1.939980 -1.270166 0.295398
C -1.764475 -2.364681 -0.806070
C -1.606429 -2.028911 1.633428
C -2.347035 -3.626884 -0.131034
C -1.815232 -3.550706 1.329220
C -1.107035 -0.000841 0.061836
C -1.562608 1.341867 -0.119944
C 0.297210 -0.217891 0.015578
C -0.639553 2.394892 -0.338401
C -3.658601 1.368391 1.292177
C -3.811184 0.990883 -1.222456
C -3.322898 3.201524 -0.293451
C 1.213935 0.831566 -0.203257
C 0.739684 2.151243 -0.382658
C 3.318788 -0.536610 -0.106841
C 5.565322 -1.492357 -0.103117
C 5.308014 0.969658 -0.506993
H -3.022712 -1.054272 0.326125
H -0.691683 -2.510489 -1.028479
H -2.264307 -2.101104 -1.757291
H -2.253468 -1.677992 2.459183
H -0.566286 -1.831285 1.942944
H -2.045309 -4.555730 -0.643835
H -3.453845 -3.589336 -0.143824
H -2.507263 -4.026982 2.044327
H -0.850662 -4.082513 1.408016
H 0.687697 -1.226538 0.155563
H -0.962151 3.426933 -0.478571
H -4.733343 1.610255 1.283403
H -3.512529 0.307600 1.518624
H -3.134633 1.976662 2.044093
H -3.670354 -0.091835 -1.146378
H -3.394377 1.345955 -2.176472
H -4.881864 1.240561 -1.154223
H -4.412065 3.354669 -0.252477
H -2.947305 3.513579 -1.277771
H -2.842008 3.780219 0.507429
H 1.449418 2.964754 -0.551798
H 6.262060 -1.336618 0.740655
H 6.152402 -1.622934 -1.030380
H 4.970086 -2.397953 0.080399
H 5.851970 0.926598 -1.468944
H 6.033701 1.199414 0.294898
H 4.558829 1.768474 -0.553276


