%chk=000020299.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020299

1 1
 O   0.9526000      0.3748000      -1.803300    
 N   -2.965700      0.6603000      1.5699999E-02
 C    2.001500      0.8082000      0.2889000    
 C   0.8347000      0.1006000     -0.3977000    
 C  -0.5154000      0.7031000      7.7399999E-02
 C   -1.741100      4.0700000E-02 -0.5502000    
 C    1.913600       2.326000      7.9800002E-02
 C    3.342000      0.2630000     -0.2216000    
 C    3.098900       3.051800      0.7122000    
 C    4.524900      0.9922000      0.4116000    
 C    4.429700       2.501200      0.2091000    
 C   -3.017600      0.4727000       1.538100    
 C   -3.001100       2.165700     -0.2813000    
 C   -4.226100      2.5100000E-02 -0.5869000    
 C   0.9111000      -1.408700     -0.1470000    
 C   -4.295600       1.081900       2.071900    
 C   -2.950900       2.379600      -1.778300    
 C   -4.255800      -1.447700     -0.2414000    
 C   0.8683000      -1.862100       1.150600    
 C    1.018900      -2.250000      -1.229300    
 C   0.9376000      -3.236400       1.379000    
 C    1.088100      -3.624400      -1.000800    
 C    1.047400      -4.117500      0.3035000    
 H    1.964700      0.6365000       1.373500    
 H  -0.5177000      0.6509000       1.167100    
 H  -0.5283000       1.751500     -0.2179000    
 H   -1.733700      -1.013700     -0.2661000    
 H   -1.751000      8.5100003E-02  -1.642800    
 H    1.020800       2.748800      0.5497000    
 H    1.883900       2.584300     -0.9848000    
 H    3.414600      0.3685000      -1.311300    
 H    3.454700     -0.8031000      2.7999999E-03
 H    3.037000       4.123500      0.4912000    
 H    3.051300       2.948300       1.803500    
 H    4.559000      0.7691000       1.485100    
 H    5.461100      0.6215000     -2.0900000E-02
 H    4.540900       2.733900     -0.8571000    
 H    5.255500       2.996500      0.7321000    
 H   -2.888800     -0.5817000       1.795800    
 H   -2.200900       1.037900       1.993500    
 H   -3.961300       2.568000      5.2400000E-02
 H   -2.212800       2.687700      0.2671000    
 H   -5.123700      0.5694000     -0.2837000    
 H   -4.150900      9.0700001E-02  -1.676400    
 H   0.5816000       1.252300      -1.992700    
 H   -5.210600      0.5926000       1.732500    
 H   -4.379800       2.162000       1.938700    
 H   -4.295400      0.9397000       3.161000    
 H   -2.022100       2.041800      -2.243500    
 H   -3.802600       1.966500      -2.322200    
 H   -2.989500       3.460500      -1.965500    
 H   -5.153900      -1.881800     -0.6996000    
 H   -3.423000      -2.022400     -0.6524000    
 H   -4.351700      -1.656300      0.8261000    
 H   0.7733000      -1.195000       2.000700    
 H    1.050800      -1.904100      -2.256500    
 H   0.9034000      -3.620600       2.394300    
 H    1.172700      -4.311100      -1.838100    
 H    1.100500      -5.187500      0.4813000    


%chk=000020299-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020299

1 1
O 0.577966 0.623164 -1.683382
N -3.089638 0.645568 0.084633
C 2.086749 0.893109 0.302136
C 0.794841 0.208266 -0.274710
C -0.503495 0.713770 0.425732
C -1.721163 -0.040622 -0.138998
C 1.998050 2.439332 0.393307
C 3.349324 0.476098 -0.505722
C 3.295902 3.049645 0.981055
C 4.639638 1.075701 0.103384
C 4.551367 2.615445 0.191864
C -3.338015 0.769054 1.608292
C -3.119998 2.065120 -0.551999
C -4.189263 -0.213974 -0.596703
C 0.888079 -1.332539 -0.163509
C -4.706437 1.329120 2.014552
C -2.630381 2.147393 -2.003642
C -4.403609 -1.614159 -0.008589
C 1.082812 -1.944091 1.104063
C 0.753550 -2.163207 -1.302911
C 1.153362 -3.348932 1.225551
C 0.831498 -3.570885 -1.184260
C 1.031191 -4.169624 0.079481
H 2.220297 0.502078 1.333233
H -0.403144 0.567801 1.515727
H -0.574467 1.794633 0.222341
H -1.797026 -1.041152 0.313844
H -1.603010 -0.159535 -1.226923
H 1.147621 2.748706 1.032253
H 1.813351 2.855063 -0.618200
H 3.272313 0.850816 -1.552017
H 3.427418 -0.625844 -0.556769
H 3.213028 4.152975 0.993399
H 3.402911 2.726850 2.037473
H 4.793299 0.654243 1.117950
H 5.513349 0.772057 -0.502909
H 4.510506 3.041363 -0.831793
H 5.460585 3.024253 0.670610
H -3.187023 -0.240724 2.025160
H -2.529941 1.414027 1.991042
H -4.165859 2.405806 -0.475009
H -2.506756 2.709837 0.099461
H -5.118364 0.377190 -0.540457
H -3.895244 -0.285496 -1.656488
H 1.431859 0.533215 -2.177655
H -5.547319 0.694733 1.688060
H -4.874823 2.357937 1.656305
H -4.741168 1.365338 3.117781
H -1.571928 1.858689 -2.117879
H -3.245493 1.552535 -2.699929
H -2.722357 3.201329 -2.322130
H -5.205315 -2.099670 -0.593036
H -3.514746 -2.260618 -0.090089
H -4.739217 -1.595997 1.041667
H 1.194322 -1.327852 2.005005
H 0.588200 -1.708233 -2.285210
H 1.313683 -3.802975 2.209493
H 0.739702 -4.197020 -2.078498
H 1.096525 -5.258811 0.171459


