%chk=000083153.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083153

0 1
 O   0.8358000     -0.3772000      -2.199200    
 O    1.164100      -3.979800      4.7899999E-02
 O    3.360600      -4.119000     -0.4685000    
 O   -1.231500       2.345800      0.8485000    
 N    1.057700      -1.370000     -0.1113000    
 N   -1.167700       1.167800      -1.152700    
 N  -0.9469000       4.702000     -0.5428000    
 C  -0.9680000     -0.1468000     -0.5966000    
 C   -2.073200      -1.125000      -1.011400    
 C    2.384300      -1.912600     -0.2974000    
 C    3.356700      -1.369800      0.7579000    
 C   0.3886000     -0.6418000      -1.085300    
 C   -3.336700     -0.9543000     -0.2041000    
 C    3.457500      0.1367000      0.7467000    
 C    2.366300      -3.433500     -0.2541000    
 C   -3.513500      -1.676800      0.9760000    
 C   -4.327900     -7.3399998E-02 -0.6375000    
 C   -1.284200       2.316200     -0.3790000    
 C    4.407700      0.7660000     -5.7599999E-02
 C    2.600200      0.8992000       1.540100    
 C   -4.681200      -1.519000       1.722300    
 C   -5.495600      8.4399998E-02  0.1090000    
 C   -1.519100       3.550500      -1.225500    
 C    4.500900       2.157700     -6.8300001E-02
 C    2.693400       2.290900       1.529300    
 C   -5.672200     -0.6384000       1.288900    
 C    3.643800       2.920100      0.7250000    
 H  -0.9339000     -6.3299999E-02  0.4967000    
 H   -2.302100      -1.021100      -2.080800    
 H   -1.725000      -2.160200     -0.8932000    
 H    2.731700      -1.638500      -1.301000    
 H    4.355900      -1.800300      0.6092000    
 H    3.049500      -1.701300       1.759700    
 H   0.5861000      -1.576800      0.7645000    
 H   -1.202600       1.249500      -2.164900    
 H   -2.747300      -2.363900       1.325400    
 H   -4.202300      0.4957000      -1.554800    
 H    5.079200      0.1825000     -0.6818000    
 H    1.856100      0.4226000       2.172600    
 H   -4.818500      -2.081100       2.641400    
 H   -6.267200      0.7704000     -0.2282000    
 H   -1.045600       3.440100      -2.205900    
 H   -2.596700       3.679100      -1.366900    
 H    5.240100       2.647800     -0.6953000    
 H    2.025000       2.884600       2.145900    
 H   -6.581200     -0.5151000       1.870300    
 H    3.715400       4.003800      0.7161000    
 H    1.201000      -4.959900      6.7599997E-02
 H   -1.110500       5.539300      -1.100600    
 H   -1.433600       4.853300      0.3402000    


%chk=000083153-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083153

0 1
O 0.544792 -1.873479 -1.676814
O 1.922683 -3.609468 1.675144
O 4.140786 -3.457028 1.016159
O -0.279595 0.486197 2.197760
N 1.186283 -1.310592 0.497783
N -1.156428 0.560558 0.050360
N -0.137907 3.215659 2.371508
C -1.151946 -0.908030 -0.138597
C -2.180532 -1.326817 -1.214106
C 2.584785 -1.677723 0.313425
C 3.564470 -0.540020 0.758130
C 0.271526 -1.415132 -0.524979
C -3.582562 -0.796292 -0.949625
C 3.385231 0.730248 -0.058298
C 2.982785 -2.983536 1.015182
C -4.315629 -1.203639 0.196294
C -4.187421 0.122088 -1.845125
C -0.776958 1.154501 1.225338
C 3.913628 0.824845 -1.372203
C 2.672085 1.836222 0.467774
C -5.613040 -0.704161 0.441462
C -5.487330 0.625822 -1.604292
C -1.013614 2.666017 1.333657
C 3.733423 1.996266 -2.140425
C 2.487536 3.010251 -0.297792
C -6.204077 0.215417 -0.457878
C 3.018820 3.094918 -1.605094
H -1.412280 -1.348600 0.843291
H -1.809839 -0.997869 -2.201952
H -2.177161 -2.431621 -1.249848
H 2.720689 -1.862228 -0.770991
H 4.588820 -0.940970 0.653800
H 3.399410 -0.331620 1.832386
H 0.866234 -0.897536 1.389428
H -1.496552 1.139725 -0.720836
H -3.870453 -1.920676 0.897976
H -3.643732 0.431669 -2.747064
H 4.472454 -0.020459 -1.794167
H 2.250822 1.792868 1.478970
H -6.165402 -1.033300 1.328926
H -5.939625 1.330126 -2.311719
H -0.807500 3.134019 0.349353
H -2.105267 2.803244 1.533989
H 4.151659 2.054396 -3.151858
H 1.934175 3.847066 0.143986
H -7.212273 0.600734 -0.269306
H 2.884545 4.006026 -2.199659
H 2.258882 -4.449808 2.092087
H -0.416664 4.127059 2.739426
H 0.080664 2.521763 3.095538


