%chk=000028606.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028606

0 1
 O   0.8568000     -0.9521000      2.9700000E-02
 O    2.348300      0.1949000       1.346700    
 N    2.961700     -0.6363000     -0.7306000    
 C   -1.620600     -0.9816000      0.2545000    
 C   -1.981100       1.147200     -0.3063000    
 C  -0.4836000       1.175800      0.1489000    
 C  -0.2654000     -0.3035000      0.5957000    
 C   -2.609800      0.1193000      0.6479000    
 C   -1.820000      -1.048500      -1.277900    
 C   -2.147700      0.4054000      -1.645600    
 C   -1.822100      -2.317900      0.9399000    
 C   0.4857000       1.669000     -0.9349000    
 C  -0.3238000       2.122400       1.359300    
 C    2.086800     -0.4069000      0.3104000    
 C    4.334900     -0.1872000     -0.7378000    
 H   -2.464700       2.127200     -0.3004000    
 H  -0.1483000     -0.3499000       1.688500    
 H   -2.560500      0.3966000       1.704700    
 H   -3.648900     -0.1217000      0.3954000    
 H   -2.658600      -1.699200      -1.551500    
 H  -0.9298000      -1.410300      -1.802100    
 H   -1.514600      0.7882000      -2.449500    
 H   -3.186600      0.4752000      -1.990600    
 H   -1.726300      -2.223000       2.026800    
 H   -2.818000      -2.722700      0.7306000    
 H   -1.082600      -3.049700      0.5984000    
 H    1.470800       1.929400     -0.5362000    
 H   0.6223000      0.9420000      -1.741300    
 H   9.4700001E-02   2.585600      -1.393900    
 H   0.7062000       2.135100       1.729100    
 H  -0.5862000       3.149900       1.081400    
 H  -0.9647000       1.840100       2.200200    
 H    2.619200      -1.143200      -1.540900    
 H    4.604400      0.2827000      0.2109000    
 H    4.454000      0.5299000      -1.553600    
 H    4.976300      -1.052800     -0.9200000    


%chk=000028606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028606

0 1
O 0.883281 -0.618398 -0.348113
O 2.438433 0.359841 1.143319
N 3.100470 -0.918110 -0.717543
C -1.504699 -0.964454 0.208931
C -2.200283 1.185315 -0.229110
C -0.677302 1.398053 0.118008
C -0.241947 -0.091217 0.465406
C -2.596229 0.023087 0.729701
C -1.805852 -0.963698 -1.327991
C -2.364153 0.477717 -1.605576
C -1.440365 -2.354967 0.846952
C 0.150006 2.023592 -1.028569
C -0.524082 2.297043 1.373214
C 2.178785 -0.328149 0.120021
C 4.542714 -0.793956 -0.498872
H -2.785909 2.116007 -0.134340
H 0.071513 -0.155625 1.524791
H -2.492508 0.261612 1.803261
H -3.619411 -0.354071 0.549864
H -2.556331 -1.741538 -1.561655
H -0.897141 -1.189735 -1.910931
H -1.836816 0.995132 -2.424061
H -3.435313 0.440868 -1.878793
H -1.262675 -2.291674 1.937453
H -2.384922 -2.908197 0.687918
H -0.620077 -2.951737 0.406849
H 1.173559 2.252657 -0.680250
H 0.236540 1.357399 -1.902625
H -0.315209 2.972284 -1.356965
H 0.521582 2.272750 1.729267
H -0.789297 3.344890 1.135661
H -1.173870 1.967466 2.204714
H 2.738666 -1.452949 -1.507073
H 4.694453 -0.168344 0.395092
H 5.041041 -0.309251 -1.359107
H 5.011546 -1.780239 -0.322948


