%chk=000016915.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016915

0 1
 O   -1.256100      -1.919900      0.1268000    
 O   0.2440000      -1.552700      -1.591300    
 N    2.680700      0.4143000      0.6972000    
 C  -0.2165000      0.1893000      2.9300001E-02
 C   0.7968000       1.024600     -0.7946000    
 C   0.3665000     -1.8000000E-03   1.453000    
 C    2.237800      0.5088000     -0.6964000    
 C    1.817700     -0.4960000       1.455700    
 C   -1.604300      0.8516000      3.0000000E-03
 C  -0.3615000      -1.185200     -0.5935000    
 C    4.074200     -2.5400000E-02  0.7639000    
 C   -2.248400       1.061500      -1.213500    
 C   -2.209700       1.238400       1.195600    
 C    4.987700      0.9273000      5.6000002E-02
 C   -3.506900       1.662700      -1.237500    
 C   -3.468200       1.839300       1.171700    
 C   -4.116800       2.051500     -4.4900000E-02
 C   -1.490300      -3.247300     -0.3543000    
 C    5.772700      0.5863000     -0.9723000    
 C   -2.499500      -3.927200      0.5463000    
 H   0.7741000       2.066400     -0.4436000    
 H   0.5188000       1.057700      -1.855900    
 H  -0.2363000     -0.6953000       2.053100    
 H   0.3655000      0.9592000       1.986700    
 H    2.352400     -0.4516000      -1.211600    
 H    2.846300       1.231800      -1.252400    
 H    2.155300     -0.5403000       2.498700    
 H    1.869800      -1.518100       1.058800    
 H    4.184800      -1.042000      0.3629000    
 H    4.395800     -6.2300000E-02   1.812500    
 H   -1.795300      0.7612000      -2.154000    
 H   -1.759100       1.088800       2.169700    
 H    5.018200       1.954000      0.4132000    
 H   -4.012800       1.826400      -2.184500    
 H   -3.945200       2.140000       2.100100    
 H   -5.097200       2.518400     -6.3400000E-02
 H   -1.878900      -3.201100      -1.377700    
 H  -0.5496000      -3.809100     -0.3470000    
 H    6.417200       1.323200      -1.439000    
 H    5.786000     -0.4241000      -1.365500    
 H   -2.702800      -4.946700      0.2067000    
 H   -2.132200      -3.964100       1.577200    
 H   -3.439500      -3.365900      0.5639000    


%chk=000016915-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016915

0 1
O -1.059944 -2.069262 0.218356
O -0.416631 -1.375004 -1.900409
N 2.621329 0.290844 0.601657
C -0.301370 0.239864 -0.000273
C 0.733486 1.045112 -0.847758
C 0.285129 0.058609 1.426112
C 2.144650 0.429213 -0.797590
C 1.696744 -0.556859 1.391168
C -1.672302 0.969559 -0.009833
C -0.561630 -1.126743 -0.679336
C 4.026703 -0.181258 0.679415
C -2.322116 1.210921 -1.250775
C -2.302433 1.417519 1.177686
C 5.006693 0.857329 0.172629
C -3.558202 1.888716 -1.302390
C -3.539572 2.100690 1.127368
C -4.172949 2.341560 -0.111680
C -1.468070 -3.383975 -0.368062
C 6.019132 0.612931 -0.695960
C -1.991114 -4.235476 0.783699
H 0.768908 2.073514 -0.442949
H 0.402713 1.099063 -1.899037
H -0.376954 -0.574236 2.041659
H 0.361945 1.056636 1.897195
H 2.138588 -0.560604 -1.322294
H 2.849686 1.080701 -1.344204
H 2.086201 -0.633613 2.423834
H 1.639379 -1.600718 0.982674
H 4.185001 -1.145822 0.131542
H 4.242296 -0.379849 1.749948
H -1.864384 0.853336 -2.180653
H -1.837754 1.236927 2.151023
H 4.858448 1.867980 0.580996
H -4.041927 2.062190 -2.270404
H -4.007546 2.442055 2.057914
H -5.131843 2.870505 -0.150085
H -2.236879 -3.191738 -1.138273
H -0.588285 -3.831365 -0.865062
H 6.718756 1.400045 -0.998796
H 6.178171 -0.383668 -1.127552
H -2.314659 -5.221526 0.403038
H -1.207785 -4.396971 1.544129
H -2.854411 -3.750531 1.270433


