%chk=000060657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060657

0 1
 O    3.745900     -0.2139000      8.0200002E-02
 O   -2.351900      -1.600700      0.4471000    
 O   -5.120400      -1.118300      0.4860000    
 N   -3.018400       1.686800     -0.7055000    
 C    4.198800       2.100000      0.3879000    
 C    3.753800       3.378800     -0.2516000    
 C    2.798500       2.588400      0.5937000    
 C    4.428400      0.9040000     -0.4707000    
 C    3.936800      -1.381800     -0.7080000    
 C    3.184000      -2.556100     -7.5199999E-02
 C    1.720900      -2.303300      6.2700003E-02
 C   -4.260300     -0.4403000     -0.4342000    
 C   -3.850000      0.8952000      0.1909000    
 C   -2.689300       2.974600     -0.1095000    
 C   -3.073900      -1.347100     -0.7540000    
 C   0.8519000      -2.657300     -0.9694000    
 C    1.221300      -1.713600       1.223800    
 C   -1.008500      -1.833400      0.3199000    
 C   -1.993600       2.751500       1.229500    
 C   -1.809300       3.786100      -1.056100    
 C  -0.5169000      -2.421600     -0.8404000    
 C  -0.1476000      -1.478000       1.352800    
 H    4.871300       2.146100       1.234900    
 H    4.138400       4.305900      0.1559000    
 H    3.578000       3.402100      -1.319900    
 H    1.986000       2.079000      8.9699998E-02
 H    2.539900       2.985600       1.567700    
 H    5.503400      0.6946000     -0.5179000    
 H    4.068900       1.077000      -1.492400    
 H    3.566400      -1.202200      -1.724600    
 H    5.005100      -1.621800     -0.7600000    
 H    3.356400      -3.463400     -0.6673000    
 H    3.604700      -2.759800      0.9183000    
 H   -4.841700     -0.2654000      -1.346700    
 H   -3.347000      0.6667000       1.136300    
 H   -4.761900       1.447300      0.4545000    
 H   -3.607500       3.551200      6.0800001E-02
 H   -3.502200       1.828900      -1.591600    
 H   -3.441800      -2.305900      -1.138100    
 H   -2.456800     -0.8597000      -1.518800    
 H    1.229000      -3.121500      -1.876900    
 H    1.886500      -1.432300       2.035900    
 H   -1.187000       2.012500       1.155800    
 H   -1.539400       3.686300       1.579600    
 H   -2.687000       2.443300       2.018500    
 H   -2.313700       3.954700      -2.014000    
 H  -0.8610000       3.275100      -1.257900    
 H   -1.578000       4.766900     -0.6265000    
 H   -1.161600      -2.738800      -1.654300    
 H  -0.5328000      -1.016900       2.257900    
 H   -4.600200      -1.323700       1.281700    


%chk=000060657-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060657

0 1
O 4.579441 -0.592723 0.568960
O -2.110209 -0.674710 0.563832
O -4.580781 -0.937300 1.761099
N -4.700655 1.518731 -1.105591
C 5.756308 0.990006 1.965335
C 6.133614 2.451342 2.261839
C 4.766442 1.902773 2.700941
C 5.478284 0.572254 0.540301
C 4.308402 -1.123668 -0.774938
C 3.306897 -2.285199 -0.639997
C 1.873486 -1.862933 -0.344287
C -4.487303 -0.476725 0.368363
C -4.520507 1.069787 0.292877
C -4.219629 2.890000 -1.439185
C -3.240324 -1.058557 -0.309374
C 0.820084 -2.210197 -1.223110
C 1.548035 -1.118028 0.824445
C -0.817657 -1.099698 0.203478
C -2.679842 2.906787 -1.562786
C -4.881126 3.335473 -2.759198
C -0.520821 -1.838461 -0.965391
C 0.220777 -0.739290 1.097099
H 6.251995 0.218966 2.564835
H 6.889378 2.642697 3.028656
H 6.157274 3.157482 1.425290
H 3.879482 2.232512 2.150840
H 4.595182 1.726650 3.766427
H 6.423614 0.297287 0.018229
H 5.002460 1.405059 -0.026486
H 3.897095 -0.322337 -1.428310
H 5.259383 -1.489647 -1.224706
H 3.331504 -2.869124 -1.580249
H 3.689444 -2.950208 0.159695
H -5.385217 -0.887661 -0.129711
H -3.559152 1.459543 0.672330
H -5.317502 1.424854 0.984521
H -4.512634 3.619119 -0.642493
H -5.673399 1.385615 -1.415533
H -3.300190 -2.162941 -0.366209
H -3.121070 -0.615277 -1.316241
H 1.042938 -2.785777 -2.130475
H 2.353292 -0.831454 1.508017
H -2.363582 2.260761 -2.401820
H -2.315953 3.934938 -1.746292
H -2.190313 2.533457 -0.645390
H -5.982768 3.388969 -2.660993
H -4.638215 2.618885 -3.565755
H -4.519995 4.334472 -3.060897
H -1.307044 -2.124128 -1.670287
H -0.031920 -0.167367 1.996019
H -3.672399 -0.843209 2.152773


