%chk=000036303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036303

0 1
 O   -1.444400      -2.698400      0.2300000    
 O   -4.982600       2.048900     -0.3355000    
 O   -7.090800      0.1611000      0.2146000    
 N    1.816300     -0.1209000     -0.4872000    
 C    4.036700      0.5581000     -0.5372000    
 C    3.160500     -0.6982000     -0.5322000    
 C    3.282300       1.493900      0.4245000    
 C    1.874600      0.9131000      0.5457000    
 C   0.7891000      -1.117000     -0.2226000    
 C    5.505400      0.3815000     -0.2169000    
 C  -0.6008000     -0.4812000     -0.1986000    
 C    6.150700     -0.8145000     -0.5339000    
 C    6.215800       1.414200      0.3962000    
 C   -1.731700      -1.496600      5.3399999E-02
 C    7.504200     -0.9775000     -0.2382000    
 C    7.569200       1.251400      0.6918000    
 C   -3.115400      -1.050600      8.2400002E-02
 C    8.213300      5.5500001E-02  0.3745000    
 C   -3.418000      0.2955000     -0.1244000    
 C   -4.139000      -1.971000      0.3108000    
 C   -4.747200      0.7186000     -0.1052000    
 C   -5.769900     -0.1983000      0.1504000    
 C   -5.467400      -1.546400      0.3437000    
 C   -6.357900       2.303100     -0.6352000    
 C   -7.252900       1.575700      0.3492000    
 H    3.990900       1.003100      -1.543000    
 H    3.305700      -1.298200      -1.436900    
 H    3.366000      -1.324900      0.3460000    
 H    3.258700       2.514400      2.4599999E-02
 H    3.729300       1.531900       1.424700    
 H    1.740700      0.4992000       1.553500    
 H    1.124200       1.694300      0.3873000    
 H   0.9748000      -1.640300      0.7248000    
 H   0.8125000      -1.879300      -1.011800    
 H  -0.6627000      0.2610000      0.6050000    
 H  -0.7862000      5.1000002E-03  -1.163800    
 H    5.626100      -1.631000      -1.020800    
 H    5.750200       2.366000      0.6346000    
 H    8.006800      -1.907400     -0.4876000    
 H    8.123200       2.057600       1.163800    
 H    9.267600     -7.0600003E-02  0.6031000    
 H   -2.649900       1.039300     -0.3127000    
 H   -3.927000      -3.025000      0.4703000    
 H   -6.257900      -2.268200      0.5308000    
 H   -6.555000       1.990300      -1.668100    
 H   -6.518800       3.383600     -0.5686000    
 H   -7.027000       1.857200       1.385100    
 H   -8.303700       1.810400      0.1527000    


%chk=000036303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036303

0 1
O -1.469507 -2.740882 0.143324
O -5.154303 2.096257 -0.307930
O -7.255945 0.086122 0.024046
N 1.835570 -0.084717 -0.187091
C 4.085920 0.603950 -0.405214
C 3.192182 -0.656535 -0.360540
C 3.424005 1.529709 0.673817
C 1.973275 0.985817 0.842121
C 0.781977 -1.082751 0.081215
C 5.583168 0.372402 -0.228303
C -0.621179 -0.462210 -0.028391
C 6.179297 -0.888997 -0.490919
C 6.432637 1.442685 0.161510
C -1.740026 -1.503838 0.055956
C 7.574867 -1.076452 -0.365921
C 7.827592 1.261198 0.285676
C -3.164441 -1.037228 0.026754
C 8.406710 -0.001822 0.022000
C -3.513530 0.330516 -0.120097
C -4.201070 -2.007712 0.140268
C -4.862891 0.721205 -0.140839
C -5.890576 -0.255012 0.003786
C -5.549665 -1.620179 0.131042
C -6.558818 2.340852 -0.703264
C -7.502050 1.537629 0.196040
H 3.920818 1.075171 -1.395397
H 3.236080 -1.258294 -1.286207
H 3.495201 -1.312379 0.497038
H 3.432654 2.586827 0.357785
H 3.978171 1.460606 1.626603
H 1.837227 0.570684 1.873018
H 1.206294 1.767689 0.694507
H 0.900444 -1.555525 1.088996
H 0.868700 -1.898221 -0.658614
H -0.777251 0.299500 0.761522
H -0.695738 0.079064 -0.993925
H 5.552806 -1.734603 -0.795641
H 5.998370 2.427971 0.369242
H 8.011336 -2.060803 -0.571351
H 8.461828 2.102861 0.587404
H 9.488708 -0.145947 0.118397
H -2.755038 1.110544 -0.234442
H -3.914233 -3.058555 0.242637
H -6.358095 -2.350585 0.232578
H -6.695419 2.052506 -1.763611
H -6.713894 3.425116 -0.587508
H -7.345611 1.804404 1.258633
H -8.557957 1.690457 -0.077612


