%chk=000003831.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003831

0 1
 O   -3.211200      -1.038300      0.3325000    
 O   -2.828000      6.2399998E-02  -2.346100    
 O   -4.854700       2.056600     -8.3600000E-02
 O   -6.664500     -4.6100002E-02 -0.4393000    
 O   -4.529200      -2.735000       2.043600    
 O    5.976900     -0.4360000      -1.209100    
 N   -1.093500     -5.6800000E-02 -1.4500000E-02
 N   0.8134000      -1.125200     -0.4407000    
 N  -0.2190000       2.005200      0.9242000    
 N    3.509700      0.1337000      0.1840000    
 N    2.220900       1.987300      0.9776000    
 C   -3.094100      0.8753000      -1.204800    
 C   -4.607700       1.064100      -1.079000    
 C   -2.538700      0.1960000      6.0899999E-02
 C   -5.279200     -0.2584000     -0.6831000    
 C   -4.614400     -0.8646000      0.5597000    
 C   -5.194400      -2.234300      0.8983000    
 C  -9.5399998E-02  0.7836000      0.3841000    
 C  -0.5004000      -1.189400     -0.5020000    
 C    1.080200      0.1026000      0.1110000    
 C    2.270200      0.7498000      0.4284000    
 C   0.9974000       2.530200       1.188300    
 C    4.764500      0.7536000      0.4907000    
 C    5.930100     -0.1130000      9.3699999E-02
 C    6.952100     -0.6356000      0.8060000    
 C    7.721800      -1.360200     -0.1351000    
 C    7.087200      -1.207600      -1.345900    
 H   -2.592900       1.839600      -1.351500    
 H   -5.036900       1.429500      -2.019100    
 H   -2.675900      0.8481000      0.9337000    
 H   -5.189400     -0.9634000      -1.519200    
 H   -4.747400     -0.2154000       1.435400    
 H   -5.026600      -2.941900      7.9499997E-02
 H   -6.265700      -2.175200       1.112000    
 H   -3.174100      0.5297000      -3.125500    
 H   -5.818800       2.131100      1.8600000E-02
 H   -7.049100      0.3348000      -1.247100    
 H   -1.065800      -2.024900     -0.8921000    
 H   -4.910500      -3.608000       2.238400    
 H    3.492400     -0.7940000     -0.2261000    
 H   0.9956000       3.521300       1.629100    
 H    4.826900      0.9632000       1.565500    
 H    4.855800       1.710200     -3.8199998E-02
 H    7.140600     -0.5248000       1.864000    
 H    8.625900      -1.923300      4.6300001E-02
 H    7.287500      -1.565200      -2.345300    


%chk=000003831-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003831

0 1
O -3.030227 -1.088720 0.012559
O -3.224717 0.893667 -2.259043
O -4.818002 1.835345 0.890197
O -6.633477 -0.169717 0.244972
O -4.302184 -3.146448 1.805326
O 6.319247 -1.103682 -0.768359
N -1.073689 0.086353 -0.439520
N 0.704036 -0.698796 -1.660332
N 0.112240 1.746275 0.986111
N 3.534100 0.440294 -1.167225
N 2.524331 1.806818 0.500750
C -3.248437 1.246235 -0.837575
C -4.731920 1.219990 -0.435444
C -2.442580 0.249269 0.046964
C -5.288942 -0.223580 -0.375626
C -4.414755 -1.107846 0.539325
C -4.859596 -2.562443 0.578147
C 0.050675 0.785331 0.018819
C -0.622455 -0.791015 -1.444370
C 1.133824 0.287125 -0.751936
C 2.420917 0.841784 -0.475511
C 1.389833 2.198645 1.159500
C 4.895087 0.924772 -0.860610
C 5.710511 -0.041276 -0.052612
C 6.001980 -0.175463 1.294743
C 6.824482 -1.359990 1.444782
C 6.993390 -1.894918 0.179922
H -2.846377 2.264383 -0.661508
H -5.306891 1.807872 -1.181452
H -2.400621 0.651621 1.078863
H -5.324514 -0.649059 -1.397438
H -4.427689 -0.698836 1.570628
H -4.482896 -3.078947 -0.329769
H -5.967928 -2.591510 0.595035
H -2.305403 1.001113 -2.611597
H -5.702121 1.575183 1.265970
H -7.303609 0.081789 -0.439261
H -1.297339 -1.490148 -1.928606
H -4.432168 -4.127152 1.794819
H 3.413398 -0.325950 -1.833265
H 1.527791 2.970015 1.923107
H 4.777099 1.859506 -0.290205
H 5.413297 1.149431 -1.810860
H 5.658991 0.490103 2.084314
H 7.234234 -1.757742 2.371101
H 7.520671 -2.758381 -0.215630


