%chk=000018967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018967

0 1
 O    7.510200      -1.019500      0.5905000    
 O    1.923600       1.957400     -0.4017000    
 O   -1.638000      7.3100001E-02 -0.2091000    
 O   0.7509000      0.2416000      -1.391400    
 O   -4.993800       2.108200      0.8706000    
 N    4.802400     -0.3067000      7.8800000E-02
 C    5.899200      0.6520000     -0.1143000    
 C    5.157600      -1.273700       1.126900    
 C    3.559900      0.3868000      0.4121000    
 C    7.186800     -9.5399998E-02 -0.4491000    
 C    6.463100      -1.975200      0.7637000    
 C    3.159800       1.311600     -0.7249000    
 C   -1.614500       1.438700     -0.1161000    
 C  -0.4080000       2.077100     -0.4051000    
 C   -2.729600       2.186700      0.2475000    
 C   -3.975800      3.9999999E-04  0.4382000    
 C   -2.821200     -0.5891000      6.7800000E-02
 C   0.7771000       1.321500     -0.7894000    
 C   -3.988400       1.487900      0.5481000    
 C  -0.3225000       3.467300     -0.3285000    
 C   -2.648200       3.579800      0.3250000    
 C   -2.685500      -2.044400     -8.1699997E-02
 C   -1.440900       4.217200      3.6100000E-02
 C   -5.268800     -0.6880000      0.7679000    
 C   -2.947700      -2.647100      -1.312500    
 C   -2.294400      -2.824900       1.006800    
 C   -2.819200      -4.028700      -1.454600    
 C   -2.165800      -4.206500      0.8645000    
 C   -2.428200      -4.808400     -0.3662000    
 H    5.717700       1.328300     -0.9537000    
 H    6.048300       1.253400      0.7919000    
 H    5.274300     -0.7628000       2.091600    
 H    4.368000      -2.026200       1.234000    
 H    3.644000      0.9574000       1.346700    
 H    2.756400     -0.3429000      0.5735000    
 H    7.108600     -0.6308000      -1.403300    
 H    8.017900      0.6123000     -0.5340000    
 H    6.760300      -2.651200       1.571800    
 H    6.360100      -2.574600     -0.1491000    
 H    3.092500      0.7860000      -1.685400    
 H    3.866100       2.135200     -0.8565000    
 H   0.5965000       3.999300     -0.5606000    
 H   -3.507900       4.181500      0.6063000    
 H   -1.373100       5.299900      9.1799997E-02
 H   -6.060600     -0.3493000      9.1300003E-02
 H   -5.569400     -0.4569000       1.795400    
 H   -5.212900      -1.776600      0.6832000    
 H   -3.252900      -2.052600      -2.170300    
 H   -2.085900      -2.370100       1.972200    
 H   -3.023300      -4.497500      -2.412800    
 H   -1.861300      -4.813800       1.711900    
 H   -2.327900      -5.884100     -0.4769000    


%chk=000018967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018967

0 1
O 7.769171 -1.083773 0.263960
O 1.909126 1.890032 -0.555818
O -1.828159 0.054561 0.048852
O 0.696606 -0.032485 -1.072384
O -5.228635 2.319449 0.725433
N 5.035966 -0.191717 -0.115587
C 6.097193 0.748787 0.326292
C 5.333815 -1.569653 0.352701
C 3.667526 0.276347 0.196714
C 7.463685 0.279617 -0.199981
C 6.709486 -2.007098 -0.177810
C 3.160109 1.177250 -0.946984
C -1.732791 1.437580 -0.014908
C -0.458245 2.005499 -0.315302
C -2.865352 2.245909 0.250358
C -4.228781 0.133297 0.488437
C -3.061016 -0.593299 0.294677
C 0.717338 1.159041 -0.678236
C -4.184127 1.613523 0.512130
C -0.351556 3.417241 -0.303111
C -2.721723 3.656603 0.237172
C -2.844217 -2.057891 0.262933
C -1.471056 4.239324 -0.028582
C -5.600440 -0.484674 0.648149
C -1.723256 -2.573386 -0.454126
C -3.694858 -2.968494 0.951025
C -1.491304 -3.961962 -0.508699
C -3.450925 -4.356422 0.896596
C -2.355723 -4.861481 0.159026
H 5.883821 1.761229 -0.065307
H 6.137539 0.816025 1.442689
H 5.336019 -1.636126 1.469264
H 4.556899 -2.256527 -0.031599
H 3.616642 0.838807 1.159183
H 2.995203 -0.594610 0.285518
H 7.462160 0.306939 -1.311101
H 8.279436 0.912200 0.187348
H 6.994958 -2.994954 0.219748
H 6.682743 -2.041909 -1.288290
H 2.975657 0.575950 -1.852821
H 3.868603 1.991663 -1.164893
H 0.623428 3.860151 -0.521425
H -3.615531 4.255777 0.439526
H -1.358110 5.327683 -0.033081
H -6.351771 0.267050 0.354037
H -5.817103 -0.743918 1.702260
H -5.723905 -1.392579 0.034787
H -1.038990 -1.876722 -0.948196
H -4.524794 -2.598728 1.556689
H -0.631617 -4.342633 -1.070837
H -4.111683 -5.042206 1.437955
H -2.171860 -5.940688 0.114522


