%chk=000133923.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133923

0 1
 O    4.356600       3.238600      0.3359000    
 O   0.7373000       2.861200      0.3151000    
 O    1.979900     -0.8144000      0.6380000    
 O    5.060700      -4.341800      0.9202000    
 O   -5.003100      0.4720000      0.2071000    
 O  -0.4042000       4.860100      0.2866000    
 N    4.116700      0.6410000     -0.8671000    
 N    5.711600      -2.403000     -0.1894000    
 N    3.505700      -2.594800      0.7921000    
 N    6.118000     -0.2427000      -1.296100    
 C    3.050000       1.613200     -0.8558000    
 C    4.107500     -0.6095000     -0.3191000    
 C    3.113900       2.533900      0.3644000    
 C    5.343300      -1.127800     -0.5956000    
 C    3.083100      -1.297200      0.3980000    
 C    5.348100      0.8158000      -1.444000    
 C    1.980200       3.554600      0.3386000    
 C    4.788400      -3.199700      0.5331000    
 C    7.038200      -2.919000     -0.5035000    
 C    2.541500      -3.398800       1.536000    
 C  -0.3791000       3.639100      0.2902000    
 C   -1.603400       2.799300      0.2689000    
 C   -2.756200       3.287000      0.8497000    
 C   -1.551300       1.557800     -0.3314000    
 C   -3.879900       1.240300      0.2287000    
 C   -3.907000       2.498800      0.8294000    
 C   -2.702100      0.7698000     -0.3517000    
 C   -4.904900     -0.8042000     -0.4234000    
 C   -6.243700      -1.479800     -0.3726000    
 C   -6.565000      -2.291200      0.7099000    
 C   -7.151100      -1.288900      -1.408700    
 C   -7.809400      -2.919700      0.7570000    
 C   -8.395500      -1.917200      -1.361600    
 C   -8.724600      -2.732700     -0.2788000    
 H    2.098000       1.080200     -0.9296000    
 H    3.157300       2.200600      -1.777100    
 H    3.063700       1.947200       1.289500    
 H    5.626100       1.727600      -1.955100    
 H    2.068200       4.200300     -0.5443000    
 H    2.038500       4.193600       1.228200    
 H    7.165200      -2.933400      -1.590400    
 H    7.789900      -2.263100     -5.3500000E-02
 H    7.178900      -3.932200     -0.1188000    
 H    1.592100      -2.883000       1.695600    
 H    2.360100      -4.326200      0.9833000    
 H    2.978500      -3.659200       2.505300    
 H    5.051600       2.623200      0.6241000    
 H   -2.788900       4.263700       1.323300    
 H  -0.6502000       1.174700     -0.8011000    
 H   -4.821600       2.870300       1.283500    
 H   -2.606800     -0.1959000     -0.8358000    
 H   -4.612400     -0.6993000      -1.476800    
 H   -4.171300      -1.437900      9.2699997E-02
 H   -5.861000      -2.442100       1.523500    
 H   -6.906800     -0.6540000      -2.256000    
 H   -8.066000      -3.554000       1.600400    
 H   -9.108600      -1.771100      -2.167700    
 H   -9.693700      -3.221600     -0.2421000    


%chk=000133923-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133923

0 1
O 4.689349 3.625186 0.467833
O 1.020763 3.057054 0.371080
O 1.557169 -0.541896 -0.511875
O 4.035249 -4.515039 0.032609
O -4.776344 0.323737 0.143046
O -0.273501 4.931659 0.864819
N 4.346462 0.889332 -0.706624
N 5.251808 -2.525873 -0.239012
N 2.835548 -2.518388 -0.237578
N 6.293959 -0.301831 -0.543848
C 3.424093 2.034880 -0.819189
C 3.984686 -0.457306 -0.515522
C 3.407881 2.895904 0.452058
C 5.203448 -1.152809 -0.423885
C 2.699573 -1.100908 -0.432701
C 5.730695 0.926094 -0.709548
C 2.236931 3.892776 0.434220
C 4.050542 -3.262975 -0.137656
C 6.550474 -3.222639 -0.149299
C 1.597955 -3.324513 -0.128373
C -0.211473 3.706016 0.594488
C -1.351033 2.770437 0.466357
C -2.664239 3.281640 0.671627
C -1.177690 1.399566 0.140112
C -3.599728 1.071256 0.234129
C -3.780207 2.443093 0.557596
C -2.295568 0.550401 0.023233
C -4.657536 -1.117231 -0.160336
C -6.041389 -1.733079 -0.119950
C -7.016780 -1.278079 0.801191
C -6.352093 -2.813480 -0.981675
C -8.283179 -1.900519 0.860614
C -7.615740 -3.442946 -0.914945
C -8.585469 -2.987679 0.007486
H 2.413369 1.637259 -0.998972
H 3.732576 2.667453 -1.670843
H 3.309437 2.238864 1.340381
H 6.281115 1.856085 -0.817668
H 2.284796 4.557499 -0.448516
H 2.215540 4.521486 1.343936
H 7.121173 -3.078591 -1.081785
H 7.138974 -2.814931 0.689227
H 6.344883 -4.290741 0.010979
H 0.748022 -2.633168 -0.221205
H 1.570194 -4.083622 -0.926998
H 1.570879 -3.845250 0.842617
H 4.834238 4.038620 1.355599
H -2.782737 4.341639 0.918735
H -0.175868 0.991921 -0.024795
H -4.796772 2.817322 0.709437
H -2.135728 -0.499661 -0.235902
H -4.193416 -1.253236 -1.157532
H -3.995445 -1.582964 0.600629
H -6.783054 -0.428754 1.450612
H -5.609065 -3.163784 -1.709436
H -9.034112 -1.538108 1.571630
H -7.844869 -4.278044 -1.586183
H -9.567744 -3.470631 0.056771


