%chk=000040996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040996

1 1
 O   0.2927000     -0.7212000      0.6765000    
 N   -3.270300     -2.4900001E-02 -1.9300001E-02
 C    1.729400      0.4191000     -0.9327000    
 C    2.666800      -1.215500      0.7426000    
 C    3.172100       1.246100      0.9644000    
 C    4.202100     -8.7200001E-02 -0.9127000    
 C    1.449500     -0.8724000     -0.1396000    
 C    1.966100       1.569000      6.2700003E-02
 C    2.990600      0.2422000      -1.801900    
 C    2.900300     -6.0400002E-02   1.732700    
 C    3.922600      -1.385100     -0.1351000    
 C    4.422400       1.062500      8.6199999E-02
 C  -0.8588000     -0.4319000     -0.1033000    
 C   -2.064200     -0.2897000      0.8049000    
 C   -3.115600       1.283600     -0.8062000    
 C   -3.503400      -1.161500      -1.023800    
 C   -4.518900      9.4599999E-02  0.8650000    
 C   -4.376800       1.538500      -1.602100    
 C   -3.659500      -2.465800     -0.2730000    
 C   -4.347200       1.259800       1.814700    
 H   0.9200000      0.6856000      -1.616700    
 H    2.471800      -2.133500       1.308900    
 H    3.335300       2.065900       1.672800    
 H    5.095000     -0.2134000      -1.535100    
 H    1.279900      -1.706200     -0.8342000    
 H    1.075800       1.747500      0.6770000    
 H    2.155300       2.500300     -0.4860000    
 H    3.184500       1.158100      -2.373700    
 H    2.831000     -0.5620000      -2.530600    
 H    3.754200     -0.2940000       2.380900    
 H    2.034000      6.5700002E-02   2.393100    
 H    3.778200      -2.217400     -0.8347000    
 H    4.785800      -1.640400      0.4916000    
 H    4.640200       1.991700     -0.4546000    
 H    5.294700      0.8492000      0.7162000    
 H  -0.9625000      -1.237600     -0.8318000    
 H  -0.7060000      0.5162000     -0.6088000    
 H   -1.872900      0.5655000       1.461700    
 H   -2.211800      -1.154400       1.459600    
 H   -2.847300       2.101300     -0.1323000    
 H   -2.307400       1.161900      -1.533100    
 H   -4.452800     -0.9891000      -1.537400    
 H   -2.714100      -1.178500      -1.779200    
 H   -5.426500      0.1468000      0.2589000    
 H   -4.583900     -0.8068000       1.481800    
 H   -5.269000       1.717100     -0.9991000    
 H   -4.591000      0.7953000      -2.372400    
 H   -4.228700       2.474000      -2.158200    
 H   -3.829200      -3.261300      -1.009800    
 H   -2.765800      -2.769300      0.2771000    
 H   -4.526100      -2.502600      0.3902000    
 H   -4.305600       2.233800       1.322500    
 H   -3.501800       1.160700       2.498700    
 H   -5.234200       1.302000       2.459900    


%chk=000040996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040996

1 1
O 0.254713 -0.410712 0.415721
N -3.465003 -0.026918 -0.075843
C 2.078122 0.485152 -1.110615
C 2.561479 -1.061545 0.846365
C 3.367585 1.346418 0.898641
C 4.451401 -0.320492 -0.682665
C 1.554848 -0.707053 -0.269437
C 2.328191 1.714750 -0.196850
C 3.413932 0.043712 -1.779235
C 2.810642 0.175073 1.753335
C 3.895705 -1.491951 0.171738
C 4.699485 0.914136 0.226493
C -0.884131 -0.272082 -0.475756
C -2.051833 -0.170743 0.524221
C -3.541857 1.309690 -0.865056
C -3.783213 -1.198584 -1.046005
C -4.497539 -0.049200 1.086334
C -4.929676 1.690634 -1.393168
C -3.597092 -2.607622 -0.470511
C -4.413135 1.123972 2.069708
H 1.348462 0.740452 -1.907417
H 2.150055 -1.896820 1.444400
H 3.546572 2.226018 1.546394
H 5.399686 -0.629441 -1.162129
H 1.387277 -1.589561 -0.929482
H 1.382000 2.040316 0.279437
H 2.698417 2.560003 -0.809604
H 3.794228 0.869171 -2.411381
H 3.243218 -0.825004 -2.447216
H 3.534302 -0.095157 2.546583
H 1.870056 0.475684 2.251604
H 3.741132 -2.388431 -0.462079
H 4.624840 -1.773071 0.955662
H 5.113169 1.749557 -0.372590
H 5.451329 0.667694 1.001799
H -0.970464 -1.158857 -1.142576
H -0.796367 0.636498 -1.107631
H -1.878263 0.706703 1.166905
H -2.050697 -1.066774 1.164711
H -3.152946 2.086230 -0.185975
H -2.829889 1.205364 -1.700161
H -4.828027 -1.050740 -1.364800
H -3.135882 -1.050784 -1.926789
H -5.491344 -0.092443 0.610578
H -4.331749 -1.001531 1.615568
H -5.670156 1.849083 -0.592047
H -5.334746 0.964771 -2.117458
H -4.828464 2.650685 -1.929812
H -3.864981 -3.327488 -1.264268
H -2.555768 -2.822696 -0.180224
H -4.259164 -2.819816 0.384899
H -4.609019 2.101649 1.599375
H -3.452957 1.170684 2.608784
H -5.197483 0.973313 2.832726


