%chk=000054979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054979

0 1
 O    2.102800      -1.636100      0.3732000    
 O    4.764000      -2.381100      6.6699997E-02
 O   -5.324000      0.5428000      0.1998000    
 O   -4.047300     -0.4028000      -1.445300    
 N    3.972800       1.153400     -0.7026000    
 N   -3.176200      6.2399998E-02  0.6820000    
 C    4.525800      5.5000000E-03  3.1999999E-03
 C    4.219700      -1.312300     -0.7127000    
 C    4.229200       2.387000      2.8200001E-02
 C    2.725700      -1.562900     -0.9055000    
 C    3.230500       2.542000       1.171700    
 C    4.152000       3.570700     -0.9309000    
 C   0.8019000      -1.215600      0.4487000    
 C   0.3153000     -0.6627000       1.633400    
 C  -3.7400000E-02  -1.342100     -0.6582000    
 C   -1.849700     -0.3629000      0.6040000    
 C   -1.010400     -0.2364000       1.711000    
 C   -1.363200     -0.9158000     -0.5805000    
 C   -4.161100      2.1800000E-02 -0.3020000    
 C   -6.439200      0.5715000     -0.6986000    
 C   -7.631300       1.173500      1.4300000E-02
 H    4.145600     -5.7799999E-02   1.029300    
 H    5.615800      0.1019000      9.5399998E-02
 H    4.719800      -1.331900      -1.687800    
 H    5.246100       2.385200      0.4421000    
 H    4.394400       1.199600      -1.630100    
 H    2.581700      -2.529300      -1.403300    
 H    2.310500     -0.7674000      -1.536200    
 H    2.197200       2.510800      0.8073000    
 H    3.344400       1.762500       1.931200    
 H    3.373200       3.504100       1.676600    
 H    4.350100       4.510000     -0.4031000    
 H    4.894100       3.480300      -1.732100    
 H    3.161600       3.649400      -1.393500    
 H    4.288700      -2.401500      0.9150000    
 H   0.9653000     -0.5609000       2.498200    
 H   0.2931000      -1.795900      -1.588000    
 H   -1.376200      0.1928000       2.640300    
 H   -1.955500      -1.052400      -1.474600    
 H   -3.464100      0.4547000       1.575300    
 H   -6.676000     -0.4492000      -1.018700    
 H   -6.186200       1.179000      -1.574600    
 H   -7.884900      0.5872000      0.9036000    
 H   -7.403200       2.188200      0.3570000    
 H   -8.503300       1.210900     -0.6447000    


%chk=000054979-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054979

0 1
O 2.001826 -1.016771 0.454510
O 4.324910 -2.525858 0.353238
O -5.786805 0.179401 0.386368
O -4.344673 0.088808 -1.478525
N 4.892619 1.062636 -0.701045
N -3.588015 -0.175631 0.755795
C 4.827609 -0.094065 0.219015
C 4.187551 -1.320441 -0.478254
C 4.856901 2.418609 -0.081993
C 2.717996 -1.075860 -0.839469
C 3.420979 2.770097 0.366706
C 5.377317 3.444104 -1.109765
C 0.612224 -0.803883 0.432297
C -0.027291 -0.779419 1.695579
C -0.151199 -0.616073 -0.744124
C -2.187833 -0.380868 0.598043
C -1.413808 -0.569745 1.775805
C -1.545166 -0.405592 -0.664579
C -4.529555 0.032880 -0.236042
C -6.927793 0.414023 -0.542196
C -8.182483 0.505680 0.320572
H 4.203765 0.177527 1.089312
H 5.819506 -0.410271 0.612332
H 4.744472 -1.549537 -1.405605
H 5.522357 2.462517 0.816505
H 5.680108 0.977488 -1.357868
H 2.314040 -1.912614 -1.441787
H 2.623018 -0.114365 -1.378534
H 2.755899 2.830205 -0.513922
H 3.007032 2.008086 1.051451
H 3.405132 3.743087 0.892301
H 5.331794 4.467567 -0.697897
H 6.428521 3.237473 -1.389783
H 4.759592 3.410044 -2.026407
H 3.623572 -2.470119 1.054540
H 0.572590 -0.925457 2.598930
H 0.322513 -0.629057 -1.729676
H -1.899131 -0.552657 2.759763
H -2.135524 -0.260708 -1.571696
H -3.960124 -0.183185 1.707698
H -6.972072 -0.422245 -1.263314
H -6.735771 1.344936 -1.106236
H -8.343451 -0.429954 0.882995
H -8.106489 1.337934 1.041218
H -9.064560 0.681475 -0.321759


