%chk=000047602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047602

0 1
 O   -2.151600      -1.346500     -0.2567000    
 O   0.6964000       1.682300     -0.4210000    
 O   -3.017400       2.212100       1.927300    
 O   -4.258800      -1.127900      0.6558000    
 O   -4.940100       2.357600      0.7486000    
 O  -0.6670000       2.356200      -2.142100    
 N   -1.529700       1.583200     -0.1314000    
 C   -2.932200       1.711400     -0.4419000    
 C   -3.473000      0.4178000      -1.055500    
 C   -3.379700     -0.7645000     -0.1131000    
 C   -3.740300       2.106100      0.7861000    
 C   -1.904900      -2.479800      0.5819000    
 C  -0.5250000      -3.001300      0.3073000    
 C  -0.5158000       1.916100      -1.007200    
 C    1.845300       1.985100      -1.220600    
 C    3.084800       1.673800     -0.4344000    
 C  -0.3291000      -3.972300     -0.6749000    
 C   0.5620000      -2.514700       1.033500    
 C    3.667200       2.655600      0.3673000    
 C    3.654700      0.4024000     -0.5048000    
 C   0.9536000      -4.457000     -0.9305000    
 C    1.844700      -2.999400      0.7778000    
 C    2.040500      -3.970600     -0.2042000    
 C    4.819400       2.366200       1.098300    
 C    4.806900      0.1132000      0.2263000    
 C    5.389200       1.095100       1.027900    
 H   -3.040200       2.529200      -1.164400    
 H   -4.529300      0.5309000      -1.329000    
 H   -2.944500      0.1705000      -1.984600    
 H   -1.266800       1.215200      0.7782000    
 H   -1.995900      -2.187200       1.635400    
 H   -2.650800      -3.258900      0.3812000    
 H    1.831700       3.045500      -1.501800    
 H    1.822200       1.389800      -2.141800    
 H   -1.167600      -4.357400      -1.249000    
 H   0.4228000      -1.755300       1.798400    
 H    3.231300       3.649000      0.4322000    
 H    3.208800     -0.3716000      -1.123700    
 H    1.106300      -5.212400      -1.695600    
 H    2.691400      -2.619500       1.342100    
 H    5.272400       3.130500       1.723000    
 H    5.249600     -0.8771000      0.1726000    
 H    3.039600      -4.346900     -0.4039000    
 H   -3.571200       2.490700       2.687500    
 H    6.285900      0.8696000       1.597700    


%chk=000047602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047602

0 1
O -2.169008 -1.899883 -0.635160
O 0.601348 2.975989 0.340997
O -3.767794 2.664753 1.425692
O -2.569922 -0.434506 1.141805
O -5.113611 1.516553 -0.079531
O -0.262954 2.566346 -1.826219
N -1.529059 2.223448 0.112096
C -2.731588 1.812984 -0.610780
C -2.639726 0.376737 -1.187138
C -2.462485 -0.658255 -0.089520
C -3.990816 1.953466 0.246895
C -1.922140 -3.035406 0.333308
C -0.439291 -3.298385 0.462469
C -0.393029 2.580850 -0.569064
C 1.938870 3.297805 -0.263289
C 2.845571 2.085967 -0.274594
C 0.142193 -4.445420 -0.131836
C 0.388954 -2.392078 1.175420
C 3.787532 1.880590 0.764862
C 2.761216 1.138507 -1.328636
C 1.529985 -4.688099 -0.015341
C 1.776433 -2.625072 1.279564
C 2.349805 -3.775863 0.687430
C 4.631094 0.746528 0.756564
C 3.599352 0.002540 -1.335164
C 4.537053 -0.195560 -0.294151
H -2.861706 2.486928 -1.482212
H -3.560772 0.143319 -1.751831
H -1.794104 0.321024 -1.893359
H -1.547823 2.257284 1.132087
H -2.383709 -2.753334 1.295764
H -2.455220 -3.885362 -0.119997
H 2.324824 4.093579 0.392875
H 1.761705 3.686243 -1.281164
H -0.490403 -5.147839 -0.688602
H -0.056671 -1.504667 1.639817
H 3.859199 2.609760 1.581549
H 2.031040 1.296433 -2.130737
H 1.969320 -5.580916 -0.474127
H 2.410628 -1.909766 1.814412
H 5.360590 0.601197 1.561433
H 3.522865 -0.726943 -2.148878
H 3.426924 -3.958926 0.773248
H -4.610746 2.706810 1.952155
H 5.191874 -1.074558 -0.304811


