%chk=000005752.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005752

0 1
 O  -9.2299998E-02   1.573900      -1.505200    
 O   -1.908800     -0.2084000     -0.3306000    
 O   -3.782600     -0.1081000       1.002900    
 N   -3.620100      -1.621700     -0.7204000    
 C   8.4200002E-02   1.198400     -0.1320000    
 C   0.6392000       2.434300      0.6213000    
 C    1.023600     -3.7000000E-03 -2.0500001E-02
 C   -1.317600      0.8524000      0.4158000    
 C    1.989200       2.925200      0.1046000    
 C    1.313800     -0.4996000       1.230000    
 C    1.543400     -0.5435000      -1.174600    
 C    2.170700      -1.595600       1.331800    
 C    2.400200      -1.639400      -1.072800    
 C    2.713800      -2.165600      0.1803000    
 C   -3.156700     -0.5985000      6.9200002E-02
 H  -6.8999998E-02   3.265500      0.5054000    
 H   0.7203000       2.239400       1.697200    
 H   -1.968500       1.730700      0.3132000    
 H   -1.277400      0.5755000       1.476100    
 H    2.776000       2.181200      0.2599000    
 H    2.283900       3.833900      0.6399000    
 H    1.945300       3.166200     -0.9620000    
 H   0.9015000     -7.0600003E-02   2.137200    
 H    1.325700     -0.1618000      -2.165900    
 H  -0.7373000      0.9669000      -1.907200    
 H    2.415100      -2.005400       2.307500    
 H    2.824000      -2.083100      -1.969000    
 H    3.381000      -3.018800      0.2595000    
 H   -3.063600      -1.994500      -1.482300    
 H   -4.532800      -2.036500     -0.5661000    


%chk=000005752-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005752

0 1
O -0.101140 1.744001 -1.624528
O -2.145245 0.165100 -0.416512
O -2.611778 -1.002803 1.587059
N -3.250047 -1.818942 -0.518302
C 0.002632 1.355884 -0.198379
C 0.684796 2.559170 0.511185
C 0.823399 0.059281 -0.047481
C -1.434804 1.218552 0.350610
C 2.077399 2.912106 -0.047981
C 0.769000 -0.721811 1.136137
C 1.698011 -0.343756 -1.087915
C 1.569008 -1.878221 1.272522
C 2.496467 -1.501636 -0.953473
C 2.436197 -2.274578 0.228563
C -2.667319 -0.913080 0.336446
H 0.014593 3.434455 0.402755
H 0.758209 2.327722 1.591922
H -1.983386 2.156298 0.159965
H -1.471799 0.966430 1.423731
H 2.793696 2.085228 0.100346
H 2.477544 3.807447 0.461476
H 2.014227 3.124687 -1.128444
H 0.092164 -0.450130 1.953837
H 1.748634 0.265918 -1.995627
H -0.692227 1.077325 -2.063373
H 1.507211 -2.472041 2.191459
H 3.167606 -1.796755 -1.768435
H 3.054771 -3.172925 0.335264
H -3.232664 -1.668168 -1.523708
H -3.670957 -2.656056 -0.125918


