%chk=000004027.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004027

0 1
 O    2.585100      0.8992000       1.313000    
 O   -1.405900     -3.2200001E-02   1.207800    
 O   -4.861600      -2.541500       1.370100    
 O    1.230400     -0.2980000      -1.599800    
 O   -4.591900     -0.2710000       1.040200    
 O    5.171400      6.0899999E-02   2.101800    
 N   -2.614400     -0.6353000     -0.6716000    
 N   0.2758000       1.374400     -0.2876000    
 N    5.529400     -0.2344000     -0.1802000    
 C   -3.191000      -1.852400     -0.1155000    
 C   -1.073700       1.266000     -0.7603000    
 C   -3.735900      -2.608700      -1.321400    
 C   -2.995000     -0.4638000      -2.071400    
 C   -4.084800      -1.498100      -2.309100    
 C   -1.893500       2.563100     -0.6475000    
 C   -1.702700      0.1427000      2.4800001E-02
 C    2.638700      0.8673000     -0.1190000    
 C    3.314700     -0.1807000      0.7163000    
 C    1.316400      0.5802000     -0.7495000    
 C   -2.054500       3.051500      0.8096000    
 C   -4.284800      -1.435000      0.8207000    
 C   -1.264800       3.645200      -1.535200    
 C    4.759200     -0.1053000      0.9598000    
 C   -2.941000       4.283300      0.9431000    
 C    6.973900     -0.1880000     -0.1673000    
 C    7.597300      -1.565200      2.5200000E-02
 C   -5.928000      -2.286700       2.290000    
 C    7.231100      -2.537500      -1.087000    
 H   -2.431500      -2.407700      0.4446000    
 H  -0.9966000      0.9879000      -1.815500    
 H   -4.594900      -3.250700      -1.106000    
 H   -2.943800      -3.234600      -1.750800    
 H   -3.336500      0.5533000      -2.274000    
 H   -2.119100     -0.6834000      -2.691700    
 H   -5.064800      -1.074300      -2.058600    
 H   -4.118800      -1.843800      -3.345900    
 H   -2.901800       2.369100      -1.034300    
 H    3.249400       1.610000     -0.6179000    
 H    2.868400      -1.165800      0.7818000    
 H   0.4789000       2.036500      0.4551000    
 H   -1.079400       3.277800       1.254700    
 H   -2.508800       2.262400       1.418100    
 H  -0.3086000       3.993400      -1.130600    
 H   -1.088200       3.265500      -2.547600    
 H   -1.926300       4.511600      -1.632400    
 H   -3.115200       4.505700       2.001100    
 H   -3.913500       4.122400      0.4673000    
 H   -2.474700       5.166100      0.4962000    
 H    5.069200     -0.3764000      -1.074800    
 H    7.300400      0.4798000      0.6373000    
 H    7.293400      0.2490000      -1.119300    
 H    7.280600      -1.988500      0.9858000    
 H    8.687700      -1.460300      6.2500000E-02
 H   -6.299000      -3.248000       2.655100    
 H   -6.745700      -1.763100       1.785500    
 H   -5.562600      -1.704600       3.141400    
 H    6.155600      -2.739500      -1.105500    
 H    7.525400      -2.143400      -2.064900    
 H    7.746900      -3.491300     -0.9371000    


%chk=000004027-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004027

0 1
O 2.862153 2.341861 0.584197
O -0.720485 -0.220416 0.633706
O -3.741399 -2.650560 1.513381
O 1.471833 0.752215 -2.519992
O -4.263577 -0.467226 0.886119
O 4.814792 0.466547 2.274833
N -2.212909 -0.587709 -1.096942
N 0.463904 1.898081 -0.736539
N 5.230161 -0.192005 0.069818
C -2.690749 -1.840898 -0.481290
C -0.908861 1.538808 -1.092449
C -3.426954 -2.555802 -1.650238
C -2.853494 -0.311847 -2.412903
C -3.970737 -1.380402 -2.502622
C -1.933129 2.631999 -0.637221
C -1.257757 0.168639 -0.454768
C 2.862227 1.558569 -0.709136
C 3.082718 0.844873 0.602583
C 1.537467 1.378454 -1.414232
C -1.825470 2.952231 0.882584
C -3.638357 -1.532698 0.691677
C -1.785150 3.897420 -1.513608
C 4.453018 0.372915 1.065525
C -3.118129 3.577521 1.451633
C 6.558067 -0.771679 0.346792
C 6.527410 -2.307359 0.539087
C -4.626643 -2.505224 2.696269
C 6.078592 -3.079432 -0.720173
H -1.848442 -2.428948 -0.082069
H -0.939527 1.445314 -2.193695
H -4.213757 -3.239798 -1.293816
H -2.691846 -3.146486 -2.225887
H -3.262760 0.712454 -2.455342
H -2.111698 -0.427143 -3.227604
H -4.902385 -0.986955 -2.059486
H -4.178880 -1.671155 -3.545471
H -2.941895 2.200194 -0.802668
H 3.716699 1.763942 -1.365466
H 2.234050 0.297850 1.038297
H 0.656147 2.320670 0.178344
H -0.977762 3.648053 1.055089
H -1.602900 2.024609 1.443571
H -0.758961 4.302788 -1.443395
H -1.989664 3.680302 -2.578901
H -2.486788 4.686590 -1.189718
H -2.998891 3.822676 2.522557
H -3.961871 2.868479 1.359301
H -3.392300 4.510220 0.924816
H 4.837092 -0.283511 -0.868772
H 6.928679 -0.286113 1.265963
H 7.236923 -0.506862 -0.486862
H 5.861457 -2.543347 1.390316
H 7.546076 -2.630722 0.831255
H -4.586225 -3.481728 3.197942
H -5.654005 -2.259565 2.378871
H -4.246234 -1.704618 3.351910
H 5.043385 -2.817109 -1.008818
H 6.740141 -2.861782 -1.580663
H 6.103601 -4.170071 -0.546088


