%chk=000004356.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004356

0 1
 O  -0.7444000     -9.3699999E-02   2.013700    
 O  -0.6442000       3.218600      -1.332400    
 O   0.2444000       4.569000      0.2483000    
 O   -5.645900      0.4164000     -0.9135000    
 O   -5.319500      -1.317700      0.5178000    
 N  -0.2133000      0.9840000      2.9700000E-02
 N   -2.664700      -1.325600      0.1916000    
 C    1.801000       2.053300      0.9830000    
 C    2.749400       1.507700     -0.1088000    
 C   0.3103000       2.181200      0.6345000    
 C   -1.230300      -1.217600     -7.7200003E-02
 C  -0.5305000      -2.535700      0.2850000    
 C  -0.7060000     -7.2899997E-02  0.7844000    
 C    4.197900       1.357800      0.3506000    
 C    2.695600       2.431300      -1.331700    
 C  -7.1000000E-03   3.439600     -0.1578000    
 C   0.9566000      -2.501400      2.1500001E-02
 C   -3.403900     -0.3143000     -0.5469000    
 C    1.453900      -2.893500      -1.221500    
 C    1.832600      -2.077000       1.020700    
 C    2.827000      -2.861600      -1.465100    
 C    3.205700      -2.045000      0.7769000    
 C   -4.867500     -0.4658000     -0.2368000    
 C    3.702700      -2.437300     -0.4660000    
 H    2.179500       3.022400       1.334400    
 H    1.882300       1.373800       1.842900    
 H    2.399400      0.5197000     -0.4236000    
 H  -0.2361000       2.319900       1.577800    
 H   -1.051100      -1.021100      -1.142200    
 H  -0.2080000      0.9192000     -0.9838000    
 H  -0.6957000      -2.786100       1.342300    
 H  -0.9711000      -3.365600     -0.2844000    
 H    4.638300       2.332700      0.5865000    
 H    4.259600      0.7403000       1.251500    
 H    4.810100      0.8880000     -0.4262000    
 H    3.473100       2.156300      -2.053900    
 H    1.744900       2.342100      -1.861800    
 H    2.856600       3.478900      -1.056600    
 H   -2.993600      -2.247000     -9.8700002E-02
 H   -3.270200     -0.4408000      -1.626800    
 H   -3.109500      0.6967000     -0.2474000    
 H   0.7812000      -3.223500      -2.008700    
 H    1.463500      -1.777700       1.997500    
 H    3.214100      -3.166100      -2.433000    
 H    3.888200      -1.722400       1.557500    
 H  -0.8509000       4.055500      -1.800700    
 H    4.771900      -2.412600     -0.6553000    
 H   -6.598300      0.2920000     -0.7141000    


%chk=000004356-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004356

0 1
O -0.543756 -0.005400 1.988222
O -0.635702 3.173710 -1.531431
O 0.300479 4.668106 -0.019882
O -5.813794 0.374331 -0.602526
O -5.340559 -1.884346 -0.315357
N -0.224062 1.036115 -0.060750
N -2.657939 -1.321471 0.161535
C 1.796256 2.188659 0.967462
C 2.795847 1.678524 -0.100671
C 0.292020 2.270129 0.543397
C -1.219314 -1.229015 -0.068117
C -0.540132 -2.543683 0.407712
C -0.631771 -0.025774 0.723088
C 4.191512 1.525973 0.552016
C 2.885795 2.591295 -1.347796
C 0.010987 3.493206 -0.320789
C 0.939003 -2.611134 0.060366
C -3.505234 -0.234347 -0.299525
C 1.361373 -3.003395 -1.236936
C 1.925575 -2.265113 1.019367
C 2.733855 -3.049599 -1.570106
C 3.299528 -2.312168 0.690545
C -4.947371 -0.699780 -0.392232
C 3.708968 -2.703511 -0.605283
H 2.096096 3.195734 1.318065
H 1.829532 1.508866 1.839106
H 2.464801 0.671120 -0.426061
H -0.270181 2.425811 1.488340
H -0.976143 -1.075193 -1.154634
H -0.343532 1.004166 -1.074924
H -0.694022 -2.606633 1.499299
H -1.079294 -3.389499 -0.064077
H 4.578157 2.507027 0.890077
H 4.152437 0.853616 1.428888
H 4.917548 1.103808 -0.167014
H 3.672391 2.226322 -2.034116
H 1.940367 2.617211 -1.920578
H 3.140627 3.629652 -1.061644
H -3.077952 -2.252659 0.086575
H -3.227267 0.148981 -1.315600
H -3.466690 0.645365 0.374012
H 0.610596 -3.289094 -1.985355
H 1.607969 -1.954601 2.021662
H 3.043004 -3.362153 -2.574195
H 4.049634 -2.048795 1.445256
H -0.798076 4.010262 -2.045241
H 4.774329 -2.744851 -0.858633
H -6.747892 0.038627 -0.678318


