%chk=000059504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059504

1 1
 O   0.3489000       1.055100      0.1636000    
 N   -3.377600      0.8723000      0.2401000    
 C   -3.466800     -0.5997000      0.6165000    
 C   -3.630800       1.030800      -1.252100    
 C   -1.990300       1.398800      0.5781000    
 C   -4.422400       1.659100       1.018300    
 C   -3.156400     -0.7381000       2.098200    
 C   -4.859200      -1.102100      0.2701000    
 C   -3.591100       2.511800      -1.593100    
 C   -2.576500      0.2372000      -2.006800    
 C  -0.9515000      0.5918000     -0.1755000    
 C    1.357700      0.3252000     -0.5214000    
 C    2.727500      0.8446000     -0.1371000    
 C    1.212200      -1.169300     -0.3097000    
 C    3.759300      0.7691000      -1.055600    
 C    1.632400      -2.033300      -1.303900    
 C    2.915400       1.382900       1.123500    
 C   0.6638000      -1.630900      0.8726000    
 C    5.020900       1.247500     -0.7017000    
 C    1.498900      -3.408100      -1.109200    
 C    4.177000       1.861500       1.477100    
 C   0.5306000      -3.005700       1.067300    
 C    5.229700       1.793700      0.5645000    
 C   0.9482000      -3.894200      7.6399997E-02
 H   -2.770400      -1.229500      7.0500001E-02
 H   -4.640300      0.6784000      -1.482200    
 H   -1.921700       2.465000      0.3406000    
 H   -1.831400       1.371100       1.660200    
 H   -4.404800       1.422500       2.080100    
 H   -4.178500       2.724700      0.9521000    
 H   -5.415900       1.497900      0.5920000    
 H   -3.194600      -1.808600       2.345900    
 H   -3.881700     -0.2862000       2.776500    
 H   -2.147000     -0.4388000       2.385700    
 H   -4.951500      -2.139500      0.6189000    
 H   -5.673300     -0.5647000      0.7622000    
 H   -5.054200      -1.155700     -0.8038000    
 H   -3.818800       2.622000      -2.662100    
 H   -2.614100       2.984000      -1.465500    
 H   -4.351200       3.108000      -1.082600    
 H   -3.170600     -0.1662000      -2.850400    
 H   -1.896200      0.8441000      -2.620700    
 H   -2.179000     -0.7168000      -1.667500    
 H   -1.054200     -0.4701000     -5.4099999E-02
 H  -0.8866000      0.9347000      -1.187600    
 H    1.218300      0.5424000      -1.591100    
 H    3.608900      0.3513000      -2.046500    
 H    2.057400      -1.667000      -2.233500    
 H    2.114800       1.435500       1.855000    
 H   0.3722000     -0.9664000       1.680900    
 H    5.840400       1.195900      -1.412600    
 H    1.823100      -4.100000      -1.881000    
 H    4.340700       2.284300       2.464000    
 H   0.1106000      -3.384700       1.994400    
 H    6.212100       2.165900      0.8401000    
 H   0.8461000      -4.964600      0.2289000    


%chk=000059504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059504

1 1
O 0.375071 0.916501 0.079761
N -3.390246 0.879686 0.200658
C -3.545096 -0.665543 0.531608
C -4.032521 1.220433 -1.221039
C -1.912020 1.316814 0.301638
C -4.139432 1.702513 1.251837
C -2.773670 -1.083846 1.798620
C -5.026673 -1.080743 0.624135
C -3.655769 2.639023 -1.692463
C -3.726303 0.176952 -2.312832
C -0.884472 0.579208 -0.572929
C 1.571100 0.260135 -0.560298
C 2.802830 0.898695 0.081211
C 1.466100 -1.253730 -0.427913
C 4.012460 0.169510 0.199125
C 1.376647 -2.073798 -1.578791
C 2.773988 2.257846 0.484082
C 1.425926 -1.857418 0.856952
C 5.172945 0.788523 0.715570
C 1.258790 -3.478414 -1.454721
C 3.932178 2.872404 1.008017
C 1.300318 -3.257239 0.983525
C 5.136877 2.140939 1.123504
C 1.217750 -4.072092 -0.172774
H -3.081933 -1.164951 -0.333904
H -5.116984 1.198626 -1.010459
H -1.881849 2.396615 0.092984
H -1.612502 1.175880 1.351853
H -3.788472 1.418123 2.253659
H -3.933504 2.770059 1.091538
H -5.219154 1.519488 1.168509
H -2.967295 -2.159359 1.957738
H -3.118696 -0.564009 2.709548
H -1.681583 -0.971510 1.707516
H -5.066133 -2.183733 0.644622
H -5.503539 -0.726436 1.553705
H -5.636408 -0.756680 -0.235377
H -4.299126 2.886187 -2.554733
H -2.611098 2.702266 -2.041535
H -3.831047 3.422714 -0.936947
H -4.174839 0.544829 -3.252455
H -2.648094 0.051193 -2.500309
H -4.173753 -0.810126 -2.115849
H -1.039552 -0.519216 -0.581247
H -0.886414 0.942092 -1.623071
H 1.546646 0.526596 -1.642060
H 4.052236 -0.880160 -0.111117
H 1.422243 -1.617760 -2.576280
H 1.841694 2.823534 0.397086
H 1.514230 -1.225338 1.748227
H 6.102196 0.214904 0.799467
H 1.208972 -4.105235 -2.351505
H 3.897366 3.921507 1.321816
H 1.285525 -3.717248 1.977759
H 6.036488 2.619589 1.524973
H 1.136103 -5.159898 -0.073634


