%chk=000018047.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018047

0 1
 O  -0.3661000       1.401200      0.4396000    
 O    1.968800       2.882200      0.9430000    
 N    2.482800     -0.4705000     -0.5407000    
 C    2.437500      0.5776000      0.4699000    
 C    1.920100       1.901700     -9.7400002E-02
 C    3.031100      -1.702300      1.0400000E-02
 C   0.4885000       1.815500     -0.6218000    
 C    4.453900      -1.470500      0.5113000    
 C    2.995900      -2.794500      -1.053800    
 C   -1.483800      0.6924000      8.8500001E-02
 C   -2.008100     -0.2487000      0.9682000    
 C   -3.146400     -0.9709000      0.6099000    
 C   -2.084300      0.9195000      -1.145300    
 C   -3.753600     -0.7479000     -0.6260000    
 C   -3.222600      0.1973000      -1.503500    
 C   -3.713700      -1.982000       1.547700    
 H    1.819400      0.2671000       1.321900    
 H    3.429300      0.7993000      0.8786000    
 H    2.580600       2.251800     -0.8988000    
 H    2.408800      -2.043100      0.8476000    
 H    3.045000     -0.1597000      -1.332700    
 H   0.4678000       1.122000      -1.471500    
 H   0.1619000       2.808400     -0.9528000    
 H    4.942100      -2.429700      0.7211000    
 H    5.070900     -0.9511000     -0.2309000    
 H    4.482200     -0.9069000       1.449000    
 H    1.973200      -2.963200      -1.409300    
 H    3.365700      -3.742800     -0.6487000    
 H    3.616600      -2.534500      -1.918800    
 H    1.353800       2.602000       1.642400    
 H   -1.529500     -0.4158000       1.929800    
 H   -1.721300       1.666700      -1.844400    
 H   -4.642700      -1.301800     -0.9154000    
 H   -3.700100      0.3758000      -2.462600    
 H   -4.438400      -1.508300       2.217200    
 H   -4.214900      -2.789600       1.003300    
 H   -2.926500      -2.444600       2.152700    


%chk=000018047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018047

0 1
O -0.327106 0.799459 0.417176
O 1.513745 2.693657 1.200959
N 3.160481 -0.161519 -0.642300
C 2.661126 0.592892 0.528007
C 1.816556 1.807858 0.068311
C 3.504155 -1.592872 -0.422559
C 0.527123 1.377887 -0.642824
C 4.661543 -1.815260 0.590079
C 3.823270 -2.242835 -1.784103
C -1.594270 0.306219 0.059178
C -2.367056 -0.212797 1.126029
C -3.657265 -0.739187 0.892701
C -2.097796 0.303995 -1.263854
C -4.162261 -0.745446 -0.436317
C -3.387487 -0.227563 -1.495127
C -4.497650 -1.263307 2.045180
H 2.016810 -0.081233 1.124267
H 3.455814 0.977672 1.205152
H 2.412702 2.426770 -0.628220
H 2.590244 -2.070548 -0.014035
H 3.930346 0.332230 -1.118059
H 0.764478 0.617153 -1.410344
H 0.012531 2.249756 -1.091509
H 4.830732 -2.893778 0.768896
H 5.604429 -1.381211 0.203723
H 4.438563 -1.341035 1.563355
H 2.976143 -2.115401 -2.480041
H 4.029327 -3.322155 -1.668411
H 4.719064 -1.777520 -2.241445
H 0.751859 2.281486 1.687718
H -1.941950 -0.196763 2.135806
H -1.509640 0.696522 -2.097861
H -5.158926 -1.155752 -0.635697
H -3.784512 -0.238299 -2.516612
H -5.122275 -0.457732 2.477939
H -5.180611 -2.065114 1.713457
H -3.868334 -1.664129 2.859082


