%chk=000044142.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044142

0 1
 O   0.6614000       1.159300     -0.1453000    
 O   -4.006500      0.1872000      2.3300000E-02
 O   -1.557200      0.6321000      0.6386000    
 O   -3.403700      -1.777000      -1.038800    
 N    2.699900      -1.617500      0.3084000    
 N    2.570500     -0.2184000      0.2119000    
 N  -0.8009000      -1.328000     -0.3962000    
 C    1.448000      -2.170900      3.6100000E-02
 C   0.5218000      -1.220600     -0.1409000    
 C    1.219800      8.3999999E-02 -1.9000000E-03
 C    3.671200      0.6548000      2.6500000E-02
 C    3.546200      -2.164900       1.364200    
 C    1.243800      -3.648400      1.6000001E-02
 C    3.515400       2.032800      0.2068000    
 C    4.921700      0.1451000     -0.3376000    
 C   -6.205600       1.126200      0.2550000    
 C   -7.692400      0.9533000     -4.2100001E-02
 C   -5.383400     -2.7700000E-02 -0.3012000    
 C   -1.746500     -0.3976000      8.8999998E-03
 C    4.598700       2.892400      2.4700001E-02
 C    6.004900       1.004900     -0.5195000    
 C    5.843400       2.378500     -0.3384000    
 C   -8.514600       2.085500      0.5524000    
 C   -3.156000     -0.7651000     -0.4109000    
 H    4.422000      -1.550900       1.586900    
 H    3.906700      -3.158800       1.078900    
 H    2.977800      -2.259400       2.296900    
 H    1.425800      -4.078200       1.006100    
 H   0.2273000      -3.922800     -0.2809000    
 H    1.931700      -4.115800     -0.6961000    
 H   -1.139600      -2.224400     -0.7359000    
 H    2.571300       2.469000      0.5169000    
 H    5.081000     -0.9127000     -0.5260000    
 H   -6.040500       1.198300       1.337400    
 H   -5.840400       2.070800     -0.1669000    
 H   -7.854000      0.9198000      -1.125800    
 H   -8.046400      5.0000002E-04  0.3685000    
 H   -5.714700     -0.9747000      0.1408000    
 H   -5.495000     -7.9200000E-02  -1.390700    
 H    4.475000       3.961400      0.1715000    
 H    6.972400      0.6062000     -0.8106000    
 H    6.686800       3.047900     -0.4807000    
 H   -8.401200       2.123700       1.640400    
 H   -8.206700       3.051900      0.1404000    
 H   -9.575800       1.942400      0.3264000    


%chk=000044142-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044142

0 1
O 1.500246 1.859703 -0.732812
O -4.292657 -0.005058 0.127710
O -2.092186 -1.488255 0.877711
O -2.889973 1.718983 -0.577226
N 2.608105 -1.127176 0.852774
N 2.877931 0.125923 0.214348
N -0.709724 0.295571 0.168638
C 1.202320 -1.234108 1.018639
C 0.604624 -0.128842 0.416451
C 1.648887 0.769387 -0.099735
C 4.144102 0.386951 -0.395263
C 3.519228 -1.492945 1.964974
C 0.656671 -2.401386 1.789333
C 4.550514 1.733282 -0.574963
C 4.970186 -0.678007 -0.838536
C -6.723763 -0.018442 0.037182
C -8.021910 0.738882 -0.333154
C -5.482635 0.809097 -0.287944
C -1.916022 -0.336160 0.384708
C 5.789339 2.003802 -1.192837
C 6.215325 -0.390085 -1.436732
C 6.631982 0.949294 -1.616121
C -9.289300 -0.081225 -0.010800
C -3.069269 0.577558 -0.075813
H 4.562436 -1.439511 1.619954
H 3.301722 -2.528808 2.264996
H 3.391093 -0.820684 2.836202
H 0.858390 -2.301108 2.873952
H -0.433213 -2.451595 1.647526
H 1.112090 -3.348277 1.445993
H -0.762157 1.224476 -0.287015
H 3.891505 2.543347 -0.254205
H 4.620597 -1.711761 -0.747510
H -6.677712 -0.978367 -0.511154
H -6.725706 -0.263852 1.116167
H -8.056609 1.703298 0.213174
H -8.009359 0.990798 -1.413074
H -5.388480 1.028751 -1.367683
H -5.454153 1.766561 0.264849
H 6.098214 3.044576 -1.338182
H 6.850982 -1.214113 -1.779131
H 7.596003 1.168331 -2.087308
H -9.293489 -1.038462 -0.564750
H -9.344871 -0.317590 1.068217
H -10.205902 0.472242 -0.284051


