%chk=000018519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018519

0 1
 O    4.038600       2.745100      2.6799999E-02
 O    5.808300      0.6285000     -0.2845000    
 O   -5.150000      -1.467200     -0.2765000    
 O   -5.944100       1.083700      0.4913000    
 N  -7.0500001E-02  -1.751400      0.7921000    
 C   0.2540000     -0.3590000      0.4289000    
 C    1.739000     -0.1044000      0.2464000    
 C    2.638100      -1.173700      7.9599999E-02
 C    2.153800      -2.598300      0.1530000    
 C  -0.5469000      6.7800000E-02 -0.8069000    
 C   0.6440000      -2.714000     -4.8000000E-02
 C    2.228700       1.210800      0.2250000    
 C   -1.983800      0.3347000     -0.4626000    
 C    4.004700     -0.9132000     -9.1600001E-02
 C    3.589100       1.459600      4.3900002E-02
 C    4.476200      0.3985000     -0.1144000    
 C   -2.910300     -0.6991000     -0.5299000    
 C   -2.372500       1.612900     -7.9599999E-02
 C   -4.245100     -0.4511000     -0.2094000    
 C   -3.707400       1.860900      0.2406000    
 C   -4.643700      0.8289000      0.1758000    
 H  -5.3599998E-02  0.2485000       1.291300    
 H    2.659900      -3.205400     -0.6070000    
 H    2.425100      -3.000000       1.137600    
 H  -0.4832000     -0.6613000      -1.624300    
 H  -0.1309000      0.9865000      -1.243100    
 H   0.3848000      -2.588800      -1.105200    
 H   0.3291000      -3.727100      0.2272000    
 H   -1.071300      -1.922400      0.7528000    
 H    1.538200       2.041900      0.3530000    
 H    4.698500      -1.743500     -0.2031000    
 H   -2.612600      -1.695800     -0.8448000    
 H   -1.651400       2.423600     -2.2800000E-02
 H   -4.004000       2.862600      0.5398000    
 H    3.284600       3.346700      0.1512000    
 H    6.268200     -0.2235000     -0.3764000    
 H   -6.021700      -1.117700     -2.2000000E-02
 H   -6.033300       2.021400      0.7338000    


%chk=000018519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018519

0 1
O 4.474020 2.603186 -0.209177
O 5.971885 0.367234 -0.554000
O -5.020532 -1.648427 -0.716140
O -6.151478 0.543494 0.379772
N -0.071248 -1.469084 0.962470
C 0.314868 -0.107345 0.546406
C 1.819282 -0.037707 0.276757
C 2.605501 -1.206824 0.116179
C 1.996199 -2.592357 0.283610
C -0.493528 0.427338 -0.712785
C 0.465509 -2.553470 0.116092
C 2.443504 1.230896 0.166319
C -1.984577 0.509628 -0.450689
C 3.988848 -1.068728 -0.164228
C 3.819295 1.364459 -0.103123
C 4.606154 0.192585 -0.277801
C -2.826513 -0.601261 -0.725806
C -2.558280 1.672788 0.125474
C -4.202100 -0.549769 -0.433434
C -3.940569 1.734168 0.421611
C -4.756616 0.622957 0.143094
H 0.073450 0.573937 1.387468
H 2.441589 -3.302119 -0.440597
H 2.225031 -2.968842 1.300176
H -0.277726 -0.241944 -1.566696
H -0.094642 1.424196 -0.976945
H 0.218349 -2.436834 -0.968797
H 0.021803 -3.507991 0.451100
H -1.080998 -1.547097 1.135312
H 1.842613 2.140919 0.308729
H 4.599452 -1.974012 -0.292870
H -2.427583 -1.507646 -1.194061
H -1.924825 2.541877 0.336763
H -4.372989 2.642168 0.861035
H 3.828944 3.340578 -0.069393
H 6.414251 -0.513609 -0.643449
H -5.952714 -1.427507 -0.452481
H -6.507028 1.375863 0.772104


