%chk=000031888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031888

0 1
 O   0.8186000      -1.632800      0.2519000    
 O    2.732100       2.482000     -0.8838000    
 O  -0.8555000      -2.467900      -1.053600    
 N   -1.083000     -0.3328000     -0.1118000    
 N    3.672400      -1.659300      0.2901000    
 C    2.864000      -2.758800      0.8158000    
 C    1.546000      -2.840400      6.4700000E-02
 C  -0.3749000      0.9005000      0.1113000    
 C   -2.525100     -0.3286000     -7.0400000E-02
 C  -0.4083000      -1.547700     -0.3699000    
 C   0.8398000       1.077100     -0.5046000    
 C  -0.9474000       1.843700      0.9290000    
 C    4.933100      -1.555400       1.023700    
 C    3.925800      -1.848800      -1.137700    
 C   -3.182800      0.8163000     -0.4422000    
 C   -3.166600      -1.470200      0.3377000    
 C    1.525400       2.272600     -0.2893000    
 C  -0.2619000       3.039200       1.144400    
 C   0.9745000       3.253600      0.5352000    
 C   -4.577200      0.8198000     -0.4032000    
 C   -4.560900      -1.466800      0.3768000    
 C   -5.266200     -0.3217000      6.3000000E-03
 C    3.378200       3.726400     -0.6204000    
 H    3.391100      -3.718500      0.7456000    
 H    2.650900      -2.567700       1.875000    
 H    1.663000      -3.070500     -0.9992000    
 H   0.9612000      -3.659100      0.5033000    
 H    1.270700      0.3469000      -1.182400    
 H   -1.860700       1.692100       1.494800    
 H    4.745600      -1.386900       2.090100    
 H    5.548500      -2.456400      0.9195000    
 H    5.515100     -0.6968000      0.6705000    
 H    4.319700      -2.845800      -1.366300    
 H    3.033000      -1.663500      -1.742500    
 H    4.659400      -1.114800      -1.493600    
 H   -2.700100       1.697700     -0.8511000    
 H   -2.649200      -2.364300      0.6688000    
 H  -0.6817000       3.794700       1.802300    
 H    1.454700       4.202300      0.7492000    
 H   -5.127600       1.704400     -0.7103000    
 H   -5.097700      -2.352800      0.7031000    
 H   -6.351900     -0.3200000      3.4100000E-02
 H    4.323400       3.723200      -1.173100    
 H    2.791500       4.571900     -0.9953000    
 H    3.628800       3.832800      0.4405000    


%chk=000031888-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031888

0 1
O 0.890576 -1.524078 1.549080
O 2.931456 2.510346 0.137296
O -0.461354 -2.793098 0.112419
N -0.862721 -0.486580 0.475096
N 2.890109 -1.714200 -0.687149
C 3.167339 -2.016722 0.733471
C 1.953310 -2.554064 1.506451
C -0.248920 0.785340 0.814277
C -2.154001 -0.483700 -0.178446
C -0.165362 -1.692639 0.644042
C 1.036909 1.086214 0.324629
C -0.964125 1.726327 1.596885
C 3.961916 -0.885249 -1.285265
C 2.585644 -2.912603 -1.501283
C -2.489148 0.578024 -1.056600
C -3.094217 -1.517052 0.063893
C 1.631504 2.327018 0.649089
C -0.366212 2.967948 1.888604
C 0.933936 3.284395 1.427289
C -3.755193 0.607208 -1.679173
C -4.353461 -1.482616 -0.570907
C -4.694967 -0.421773 -1.442010
C 3.588946 3.789854 0.410675
H 3.997072 -2.765018 0.854260
H 3.500409 -1.080901 1.219709
H 1.538312 -3.480605 1.073083
H 2.229004 -2.730622 2.559575
H 1.587782 0.349825 -0.272628
H -1.964017 1.481546 1.966612
H 4.063873 0.060062 -0.722368
H 4.956542 -1.397719 -1.303203
H 3.691308 -0.632708 -2.325827
H 3.421061 -3.657632 -1.504670
H 1.668808 -3.403371 -1.134761
H 2.398303 -2.602395 -2.544005
H -1.761818 1.372256 -1.250785
H -2.835203 -2.345470 0.727481
H -0.911227 3.699909 2.494839
H 1.379106 4.251332 1.678583
H -4.001475 1.432347 -2.356806
H -5.071773 -2.287505 -0.379110
H -5.675733 -0.399405 -1.929270
H 4.568763 3.722304 -0.084808
H 3.015508 4.637339 -0.013154
H 3.731232 3.947030 1.497893


