%chk=000020014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020014

0 1
 O   -3.057700      0.3619000       2.120400    
 O  -0.3467000     -0.9973000     -0.9120000    
 N  -0.4101000       2.184200      0.8338000    
 N    2.977900     -0.4680000     -0.1041000    
 C    2.480300       3.075200     -0.4505000    
 C    3.998700       2.858900     -0.4368000    
 C    1.870800       3.008700      0.9479000    
 C    4.386200       1.496000      0.1318000    
 C   0.3793000       3.199600      0.8978000    
 C    3.766800      0.3807000     -0.6659000    
 C   -1.819100       2.564200      0.7864000    
 C    2.468300      -1.471400      -1.034300    
 C   -2.651800       1.537400      7.1300000E-02
 C    1.507400      -2.415700     -0.3676000    
 C   -3.229800      0.4871000      0.7746000    
 C   0.1473000      -2.131100     -0.3401000    
 C   -2.832700       1.656900      -1.301800    
 C    2.002200      -3.574700      0.2189000    
 C   -3.999700     -0.4571000      9.5299996E-02
 C  -0.7307000      -3.018200      0.2828000    
 C   -3.602600      0.7125000      -1.981000    
 C    1.124200      -4.461700      0.8419000    
 C   -4.186000     -0.3444000      -1.282500    
 C  -0.2421000      -4.183500      0.8739000    
 H    2.270300       4.059700     -0.8874000    
 H    1.992200       2.347100      -1.109800    
 H    4.481300       3.648000      0.1515000    
 H    4.372200       2.949600      -1.464200    
 H    2.057600       2.038500       1.417700    
 H    2.292100       3.787600       1.591800    
 H    4.126500       1.400400       1.189900    
 H    5.473300       1.378800      5.5199999E-02
 H   1.8500000E-02   4.243700      0.8790000    
 H    4.026900      0.3300000      -1.738800    
 H   -2.191700       2.703300       1.809200    
 H   -1.969800       3.533100      0.2888000    
 H    1.978900     -0.9923000      -1.893100    
 H    3.302400      -2.052200      -1.452600    
 H   -2.380600       2.473800      -1.857400    
 H    3.064600      -3.801400      0.2028000    
 H   -4.459000      -1.286500      0.6265000    
 H   -1.797500      -2.815200      0.3157000    
 H   -3.746400      0.7993000      -3.053900    
 H    1.504500      -5.368700       1.302600    
 H   -4.784300      -1.080400      -1.811700    
 H  -0.9257000      -4.874100       1.359200    
 H   -3.530600     -0.4302000       2.428400    
 H   -1.315800      -1.010400     -0.8452000    


%chk=000020014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020014

0 1
O -2.730084 -0.909143 0.549368
O 0.555460 -0.588166 -0.069067
N -0.578536 1.494603 1.058975
N 3.579080 -0.861894 -0.489038
C 1.875984 2.691096 -0.729751
C 3.351899 2.748356 -1.195956
C 1.700343 2.399921 0.793234
C 4.195643 1.486169 -0.863381
C 0.240546 2.502186 1.164976
C 3.504673 0.191578 -1.244749
C -2.030849 1.683857 1.342534
C 2.820013 -2.076934 -0.904296
C -2.850265 1.438085 0.084224
C 1.916752 -2.554544 0.222251
C -3.153205 0.110276 -0.318767
C 0.808136 -1.754076 0.635425
C -3.287664 2.502079 -0.736096
C 2.171700 -3.765964 0.903020
C -3.865279 -0.147879 -1.512243
C 0.000309 -2.174006 1.728768
C -4.002776 2.262516 -1.932159
C 1.364131 -4.195982 1.982191
C -4.284074 0.932541 -2.319732
C 0.281606 -3.386311 2.396009
H 1.383443 3.650526 -0.988682
H 1.339006 1.894202 -1.278041
H 3.851962 3.632623 -0.752375
H 3.352735 2.907643 -2.293582
H 2.074743 1.383856 1.005085
H 2.285997 3.127431 1.386966
H 4.442352 1.432578 0.212328
H 5.162881 1.562911 -1.403282
H -0.134197 3.498962 1.481709
H 2.910004 0.207522 -2.188914
H -2.307952 0.945855 2.115818
H -2.231128 2.704484 1.732743
H 2.220687 -1.891372 -1.826270
H 3.561389 -2.870257 -1.120001
H -3.058961 3.531839 -0.434305
H 3.029035 -4.375603 0.589663
H -4.091612 -1.179964 -1.807706
H -0.844471 -1.549579 2.038562
H -4.334226 3.100477 -2.553681
H 1.582207 -5.138729 2.495297
H -4.833519 0.732810 -3.246121
H -0.347857 -3.697458 3.238550
H -2.724060 -1.796051 0.113188
H -0.011699 0.138628 0.441709


