%chk=000014178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014178

0 1
 O   -5.212000      -1.712600     -4.4300001E-02
 N    5.754000      -2.299200     -0.4333000    
 C   -1.017800      0.9313000      0.1345000    
 C  -2.2000000E-03 -0.1957000     -0.2377000    
 C   -2.388000      0.5641000     -0.4452000    
 C   -2.922900     -0.7771000      9.3199998E-02
 C    1.447800      0.1237000      0.2804000    
 C  -0.5219000      -1.606400      0.1482000    
 C   -1.954800      -1.885300     -0.3412000    
 C    1.864300       1.521400     -0.2752000    
 C  -0.5395000       2.295100     -0.3827000    
 C   -3.560500       1.521100     -0.2460000    
 C   -4.291200     -0.8032000     -0.6148000    
 C   0.8713000       2.630300      9.1899998E-02
 C   -4.802500      0.6457000     -0.4934000    
 C    2.464100     -0.9192000     -0.2807000    
 C   -3.111300     -0.8277000       1.630800    
 C    1.508100      8.4299996E-02   1.830200    
 C    3.296600       1.912600      0.1278000    
 C    3.914000     -0.4960000     -0.2040000    
 C    4.275500      0.7832000     -8.0000004E-03
 C    4.928700      -1.490400     -0.3303000    
 H   -1.101700       1.006700       1.223800    
 H   5.7999998E-02 -0.2015000      -1.338000    
 H   -2.255000      0.4717000      -1.536500    
 H  -0.4860000      -1.744900       1.232700    
 H   0.1329000      -2.373500     -0.2805000    
 H    1.859000       1.447900      -1.374700    
 H   -1.939400      -1.964000      -1.436100    
 H   -2.289300      -2.860200      3.3100002E-02
 H   -1.221200       3.085600     -4.7800001E-02
 H  -0.5604000       2.305100      -1.480000    
 H   -3.524100       2.365300     -0.9421000    
 H   -3.577400       1.929600      0.7705000    
 H   -4.172000      -1.062800      -1.674400    
 H    1.184500       3.574900     -0.3695000    
 H   0.8656000       2.802000       1.174500    
 H   -5.528200      0.7622000      0.3194000    
 H   -5.310400      0.9426000      -1.417900    
 H    2.237300      -1.126100      -1.335400    
 H    2.342800      -1.868700      0.2572000    
 H   -3.481200      -1.812000       1.940700    
 H   -2.181200     -0.6517000       2.177600    
 H   -3.833700     -8.6900003E-02   1.988100    
 H    1.278200     -0.9148000       2.213800    
 H    2.502100      0.3339000       2.213900    
 H   0.8057000      0.7818000       2.293600    
 H    3.326400       2.280200       1.160500    
 H    3.629300       2.742300     -0.5082000    
 H    5.327600       1.050600      6.3800000E-02
 H   -6.060300      -1.597900     -0.5053000    


%chk=000014178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014178

0 1
O -5.181572 -1.847829 -0.061923
N 5.675522 -2.444264 -0.494504
C -1.018263 0.955470 0.141861
C 0.005716 -0.169294 -0.229439
C -2.396765 0.576580 -0.434967
C -2.932978 -0.792587 0.086103
C 1.460286 0.144538 0.294095
C -0.505068 -1.587711 0.158514
C -1.940025 -1.892820 -0.353050
C 1.892108 1.542656 -0.275962
C -0.537952 2.324483 -0.395567
C -3.593001 1.552330 -0.254095
C -4.309155 -0.810626 -0.630691
C 0.890636 2.665536 0.076947
C -4.855922 0.646241 -0.467346
C 2.444392 -0.924296 -0.274798
C -3.153828 -0.829704 1.621032
C 1.540225 0.120818 1.845535
C 3.330380 1.923275 0.148174
C 3.912020 -0.505205 -0.197676
C 4.311620 0.788027 0.001107
C 4.892589 -1.548392 -0.355771
H -1.102400 1.025233 1.246895
H 0.074760 -0.152067 -1.344643
H -2.248407 0.451528 -1.534140
H -0.483525 -1.708943 1.258077
H 0.181976 -2.353314 -0.249753
H 1.891428 1.436063 -1.384278
H -1.929228 -1.946719 -1.462755
H -2.266839 -2.884435 0.014749
H -1.240179 3.120923 -0.081647
H -0.560686 2.299057 -1.506550
H -3.554164 2.389896 -0.972746
H -3.588256 1.994238 0.760480
H -4.140964 -1.024618 -1.711268
H 1.227691 3.614992 -0.386343
H 0.890689 2.837230 1.172955
H -5.522848 0.677954 0.414310
H -5.449217 0.962274 -1.345202
H 2.192175 -1.142145 -1.334377
H 2.322650 -1.879859 0.269214
H -3.647926 -1.777074 1.895191
H -2.202701 -0.757931 2.175578
H -3.805536 -0.007776 1.965874
H 1.197674 -0.850028 2.245864
H 2.579541 0.260413 2.192565
H 0.921250 0.908459 2.309005
H 3.338741 2.279244 1.202094
H 3.679429 2.789067 -0.451177
H 5.383719 1.017020 0.062298
H -6.042109 -1.848510 -0.550852


