%chk=000050171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050171

0 1
 O    2.884900      -1.922200     -0.7611000    
 O    6.294300       1.287700      0.1243000    
 N   0.2296000     -0.3806000      0.8275000    
 C   -1.203000     -0.6753000      0.6490000    
 C   -1.889000      0.6115000      0.1189000    
 C   -1.750700      -1.106800       2.016300    
 C   -1.304900      -1.841400     -0.3435000    
 C   0.8216000      2.6400000E-02 -0.4329000    
 C   -3.384700      0.5380000     -8.5800000E-02
 C    2.285000      0.3493000     -0.2870000    
 C   -3.881500      0.1305000      -1.312800    
 C   -4.229000      0.8798000      0.9575000    
 C    3.241500     -0.6425000     -0.4585000    
 C    2.655500       1.651900      2.0700000E-02
 C   -5.261800      6.2899999E-02  -1.501900    
 C   -5.609400      0.8123000      0.7685000    
 C    4.592800     -0.3263000     -0.3200000    
 C   -6.125700      0.4039000     -0.4613000    
 C    4.006900       1.968000      0.1593000    
 C    4.975700      0.9790000     -1.1000000E-02
 C    2.652000      -2.806100      0.3337000    
 H   -1.673600       1.455000      0.7912000    
 H   -1.504800      0.9178000     -0.8593000    
 H   0.3392000      0.3652000       1.515200    
 H   -2.791500      -1.440900       1.949100    
 H   -1.174800      -1.945600       2.426400    
 H   -1.704600     -0.2880000       2.743700    
 H   -2.304800      -2.291000     -0.3028000    
 H  -0.5984000      -2.645200     -0.1032000    
 H   -1.151100      -1.543900      -1.385800    
 H   0.3835000      0.9375000     -0.8483000    
 H   0.7382000     -0.7310000      -1.218200    
 H   -3.219700     -0.1359000      -2.131600    
 H   -3.837700       1.201700       1.918200    
 H    1.911100       2.431200      0.1593000    
 H   -5.664000     -0.2547000      -2.459500    
 H   -6.282100       1.078400       1.578500    
 H    5.343700      -1.101200     -0.4545000    
 H   -7.200500      0.3516000     -0.6085000    
 H    4.298900       2.986300      0.4009000    
 H    1.973700      -3.595900     -1.9999999E-04
 H    2.205200      -2.296800       1.192600    
 H    3.599500      -3.262700      0.6358000    
 H    6.823000      0.4854000     -2.6799999E-02


%chk=000050171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050171

0 1
O 3.203750 -2.031714 -0.674225
O 6.479450 1.433414 0.397865
N 0.258062 -0.408835 0.570804
C -1.216954 -0.663761 0.483949
C -1.987488 0.657582 0.063698
C -1.660814 -1.112139 1.895872
C -1.478771 -1.803558 -0.527526
C 0.998871 -0.041661 -0.671352
C -3.500240 0.555645 -0.050164
C 2.444927 0.304362 -0.359142
C -4.118494 0.170983 -1.270350
C -4.339592 0.849483 1.058020
C 3.472503 -0.680438 -0.349752
C 2.825187 1.646820 -0.102997
C -5.523314 0.066963 -1.376906
C -5.745296 0.748402 0.957503
C 4.819568 -0.332038 -0.102895
C -6.344161 0.353280 -0.261208
C 4.159730 2.016618 0.157222
C 5.158731 1.017052 0.149593
C 2.569063 -2.821806 0.409391
H -1.722821 1.430712 0.813418
H -1.573519 0.990737 -0.907824
H 0.467478 0.262308 1.325854
H -2.744239 -1.317191 1.924060
H -1.116027 -2.027721 2.185607
H -1.441490 -0.330216 2.649663
H -2.540900 -2.100018 -0.504387
H -0.860845 -2.681846 -0.268485
H -1.236673 -1.504936 -1.563870
H 0.542647 0.824862 -1.205346
H 0.972994 -0.904990 -1.359430
H -3.491440 -0.041696 -2.145237
H -3.885610 1.167840 2.004864
H 2.053729 2.426890 -0.127226
H -5.977366 -0.228837 -2.329664
H -6.372299 0.983850 1.825224
H 5.577351 -1.124520 -0.129818
H -7.434300 0.277864 -0.342705
H 4.444350 3.055132 0.346768
H 2.339090 -3.800770 -0.039857
H 1.648665 -2.319266 0.764059
H 3.281166 -2.953132 1.248525
H 7.103840 0.667589 0.350507


