%chk=000094756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094756

0 1
 O    6.377700     -0.1135000     -1.7000000E-03
 O   -5.461400      -1.229600      2.0999999E-03
 O   -3.639400      -2.454300      7.9999998E-04
 N   0.8327000     -0.3348000      1.9000000E-03
 N   -4.211300      -1.337400      6.9999998E-04
 C   -1.249800      0.9050000     -1.9999999E-04
 C   -2.027300     -0.2530000     -6.0000003E-04
 C   -3.419100     -0.1588000     -1.2000001E-03
 C   -1.863900       2.157400     -6.0000003E-04
 C    2.236800     -0.2778000      1.0000000E-03
 C   0.2012000      0.8071000      3.0000001E-04
 C   -4.033200       1.093700     -1.8000000E-03
 C   -3.255600       2.251600     -1.6000000E-03
 C    2.927500     -0.2477000       1.208700    
 C    2.926300     -0.2528000      -1.207300    
 C    4.321300     -0.1917000       1.208000    
 C    4.320000     -0.1971000      -1.208000    
 C    5.017500     -0.1663000     -3.9999999E-04
 H   -1.541600      -1.225900       0.000000    
 H   -1.271700       3.068800     -3.0000001E-04
 H   0.7658000       1.758700     -1.2000001E-03
 H   -5.114400       1.205800     -2.0999999E-03
 H   -3.733500       3.227000     -2.0000001E-03
 H    2.392900     -0.2680000       2.154500    
 H    2.390800     -0.2772000      -2.152700    
 H    4.852900     -0.1688000       2.155500    
 H    4.856900     -0.1783000      -2.152500    
 H    6.693100     -9.8999999E-02  0.9183000    


%chk=000094756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094756

0 1
O 6.510856 -0.318337 0.077930
O -5.440669 -1.254423 0.833420
O -3.458455 -2.293157 1.264715
N 0.865471 0.005678 0.165905
N -4.149839 -1.295640 0.829702
C -1.317301 0.985364 -0.244775
C -2.014673 -0.140404 0.269831
C -3.418759 -0.116781 0.288433
C -2.060605 2.098732 -0.726181
C 2.281539 -0.026032 0.104552
C 0.155852 1.010910 -0.285479
C -4.171440 0.983430 -0.187225
C -3.472605 2.096073 -0.697232
C 2.931143 -0.933703 0.985218
C 3.084292 0.745337 -0.791563
C 4.333443 -1.045490 1.009849
C 4.483156 0.628457 -0.785614
C 5.110876 -0.258868 0.123367
H -1.455410 -1.002724 0.641632
H -1.525318 2.969473 -1.124301
H 0.605856 1.938207 -0.698278
H -5.263037 0.947768 -0.150138
H -4.029199 2.960893 -1.071746
H 2.306523 -1.538668 1.649320
H 2.612761 1.415000 -1.519771
H 4.817515 -1.743707 1.704510
H 5.107306 1.200539 -1.478213
H 6.861921 -0.974829 0.729732


