%chk=000017997.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017997

0 1
 O  -0.7009000      -1.285400      1.6400000E-02
 O    1.125900     -0.5213000      -1.775600    
 O    1.163900      -2.295400      0.9058000    
 N   -3.386500     -0.7068000      0.7638000    
 C   -4.770600     -0.4252000      0.4018000    
 C   -2.970400      -2.007900      0.2371000    
 C    1.409600     -0.2343000     -0.3910000    
 C   -4.940900     -0.4655000      -1.115800    
 C   -3.216100     -0.6697000       2.217300    
 C   -1.520400      -2.292900      0.5946000    
 C   -4.064900      0.5857000      -1.798400    
 C   0.8236000       1.129300     -1.7800000E-02
 C    2.919600     -0.2660000     -0.1424000    
 C   0.6490000      -1.399100      0.2478000    
 C   -3.579900      0.6946000       2.778200    
 C   -4.201900      0.5283000      -3.311500    
 C   0.7651000       2.107500     -0.9834000    
 C    3.375300     -0.6712000       1.090700    
 C   0.3780000       1.324800       1.269200    
 C    3.762800      0.1121000      -1.161500    
 C   0.2311000       3.350400     -0.6434000    
 C    4.751300     -0.7001000       1.317500    
 C  -0.1561000       2.567700       1.609200    
 C    5.138900      8.3200000E-02 -0.9348000    
 C    1.610700      -1.800600      -2.131500    
 C  -0.2295000       3.580500      0.6530000    
 C    5.633200     -0.3229000      0.3047000    
 H   -5.460700      -1.144800      0.8612000    
 H   -5.077200      0.5747000      0.7271000    
 H   -3.000300      -2.022300     -0.8560000    
 H   -3.609300      -2.818800      0.6085000    
 H   -5.990600     -0.2261000      -1.335300    
 H   -4.792800      -1.462000      -1.543400    
 H   -3.800700      -1.449200       2.721600    
 H   -2.168500     -0.8044000       2.498700    
 H   -1.333200      -2.401200       1.667100    
 H   -1.247200      -3.252500      0.1361000    
 H   -3.007300      0.4425000      -1.551000    
 H   -4.344300       1.587000      -1.449800    
 H   -3.217500      0.7778000       3.809200    
 H   -4.661900      0.8548000       2.814600    
 H   -3.120700       1.506600       2.204400    
 H   -5.237700      0.7047000      -3.618600    
 H   -3.889900     -0.4478000      -3.696500    
 H   -3.574200       1.293800      -3.778500    
 H    1.125900       1.953100      -1.995100    
 H    2.722800     -0.9099000       1.922700    
 H   0.4359000      0.5546000       2.031600    
 H    3.403000      0.4512000      -2.127600    
 H   0.1757000       4.139800      -1.387300    
 H    5.136100      -1.001600       2.287400    
 H  -0.5130000       2.747400       2.619200    
 H    5.825500      0.3822000      -1.721500    
 H    1.889100      -1.758900      -3.190000    
 H    2.477500      -2.185100      -1.586500    
 H   0.7989000      -2.533800      -2.063400    
 H  -0.6447000       4.548400      0.9180000    
 H    6.704400     -0.3409000      0.4829000    


%chk=000017997-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017997

0 1
O -1.180891 -1.603503 -1.367635
O 2.114920 -1.753209 -1.606225
O 0.018040 -2.474879 0.427102
N -3.128585 -1.126532 0.984917
C -4.093949 -0.055130 1.376463
C -3.456013 -1.657508 -0.359983
C 1.108939 -0.797857 -1.049552
C -3.846198 1.307969 0.692906
C -3.045959 -2.204757 2.013912
C -2.342442 -2.473923 -1.028462
C -2.544768 2.001485 1.151248
C 0.706848 0.093817 -2.239870
C 1.723751 0.042174 0.084331
C -0.066686 -1.689623 -0.549522
C -2.272740 -1.785325 3.277103
C -2.297985 3.344098 0.431624
C 0.938750 -0.325874 -3.571227
C 1.102085 0.238163 1.339686
C 0.072630 1.338348 -2.007683
C 2.963880 0.681406 -0.177871
C 0.546214 0.492538 -4.654183
C 1.710265 1.060489 2.317001
C -0.326765 2.151593 -3.089982
C 3.575381 1.491891 0.799878
C 2.805268 -2.635617 -0.648352
C -0.091000 1.732506 -4.419801
C 2.948280 1.686624 2.054503
H -5.146003 -0.387048 1.178255
H -4.011735 0.089059 2.469159
H -3.692015 -0.805784 -1.021507
H -4.369763 -2.312222 -0.341115
H -4.713271 1.964501 0.916122
H -3.825430 1.190785 -0.409529
H -4.069216 -2.566832 2.293420
H -2.511167 -3.060766 1.567501
H -1.986647 -3.310958 -0.404146
H -2.695190 -2.853377 -2.002122
H -1.698570 1.312014 0.976312
H -2.589508 2.170732 2.247346
H -2.237418 -2.626016 3.994662
H -2.737201 -0.925574 3.792902
H -1.236672 -1.516331 3.009969
H -3.121016 4.058927 0.623439
H -2.233070 3.197304 -0.663531
H -1.355601 3.814804 0.767791
H 1.435437 -1.283330 -3.745506
H 0.149443 -0.251145 1.565813
H -0.102776 1.678360 -0.981417
H 3.440494 0.532919 -1.153540
H 0.736862 0.160362 -5.681303
H 1.215648 1.205654 3.284155
H -0.813107 3.114629 -2.895234
H 4.534784 1.975549 0.584206
H 3.554117 -3.165742 -1.258456
H 3.308493 -2.052729 0.145104
H 2.107102 -3.353512 -0.183234
H -0.395004 2.366113 -5.260984
H 3.419729 2.319392 2.814942


