%chk=000045323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045323

0 1
 O  -0.3365000      2.5699999E-02 -0.2110000    
 O   0.4402000      -1.662500      -1.569500    
 N   -4.009600      0.2857000     -4.8300002E-02
 N    5.781400       1.122500      0.6161000    
 C   -2.612400      0.6057000      0.2422000    
 C   -4.901300       1.216200      0.6430000    
 C   -4.309500      -1.092300      0.3384000    
 C   -1.679900     -0.3315000     -0.5086000    
 C   -4.603700       2.654100      0.2528000    
 C   -5.740800      -1.462000     -1.2400000E-02
 C    1.981200     -0.2531000     -0.4188000    
 C    2.604700     -0.7832000      0.6930000    
 C   0.6289000     -0.7245000     -0.8106000    
 C    2.576700      0.7192000      -1.198900    
 C    3.875000     -0.3231000       1.039600    
 C    4.496300      0.6581000      0.2670000    
 C    3.847100       1.179100     -0.8523000    
 C    1.962000      -1.834000       1.538400    
 H   -2.397000      0.5624000       1.318400    
 H   -2.347400       1.617000     -8.5100003E-02
 H   -5.942100       1.040300      0.3522000    
 H   -4.839300       1.110800       1.733500    
 H   -3.704100      -1.805500     -0.2268000    
 H   -4.128000      -1.271200       1.405500    
 H   -1.847300     -0.2577000      -1.590100    
 H   -1.793000      -1.371400     -0.1916000    
 H   -3.698400       3.040000      0.7313000    
 H   -4.514300       2.772300     -0.8327000    
 H   -5.426200       3.299300      0.5824000    
 H   -6.468600      -1.009800      0.6684000    
 H   -5.992800      -1.181700      -1.041000    
 H   -5.870900      -2.547100      7.0400000E-02
 H    2.076600       1.129100      -2.071600    
 H    4.385300     -0.7263000       1.911500    
 H    4.320700       1.943800      -1.462600    
 H    1.032100      -1.457100       1.976700    
 H    1.745300      -2.726500      0.9422000    
 H    2.609300      -2.145600       2.365400    
 H    6.252100      0.7472000       1.428700    
 H    6.231000       1.835600      5.7300001E-02


%chk=000045323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045323

0 1
O -0.328260 0.113894 -0.070780
O 0.324431 0.029967 -2.297568
N -4.049856 -0.036830 0.320511
N 6.198433 0.091009 0.358057
C -2.619854 0.051926 0.705970
C -4.958542 0.711826 1.227771
C -4.491235 -1.435863 0.067957
C -1.739648 0.114192 -0.548895
C -4.874447 2.237798 1.034095
C -5.672181 -1.527269 -0.917286
C 2.048908 0.082276 -0.579890
C 2.472075 0.126375 0.792939
C 0.649880 0.072411 -1.079003
C 3.043782 0.042516 -1.601715
C 3.857142 0.127407 1.067243
C 4.844205 0.087628 0.041290
C 4.412125 0.044628 -1.316753
C 1.523598 0.172949 1.979090
H -2.296213 -0.804760 1.344059
H -2.454261 0.969261 1.297945
H -5.991828 0.387399 1.007819
H -4.768633 0.454609 2.301333
H -3.633792 -1.987633 -0.360423
H -4.752930 -1.956964 1.024195
H -1.932550 1.033163 -1.128744
H -1.894348 -0.751630 -1.217348
H -3.862578 2.625469 1.251973
H -5.121675 2.501412 -0.008874
H -5.582419 2.753356 1.709824
H -6.569580 -1.006588 -0.536466
H -5.396928 -1.067706 -1.882297
H -5.948090 -2.584109 -1.092111
H 2.693943 0.009655 -2.638814
H 4.185443 0.160688 2.114139
H 5.148610 0.013749 -2.128374
H 0.865104 1.057198 1.932490
H 0.851414 -0.702056 1.991800
H 2.090861 0.200685 2.925695
H 6.509396 0.122315 1.324803
H 6.903301 0.063647 -0.373158


