%chk=000022987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022987

0 1
 O   -7.758600      -2.302000      0.9862000    
 O   -4.290700      -1.175900      -2.212600    
 O   -6.238500      -1.275200       2.322400    
 O   -7.157700       3.851500       1.176800    
 O   -8.016700       3.074400     -0.7741000    
 O    6.135900       2.233800      -1.549000    
 N   -4.750300     -0.7680000      2.3700001E-02
 N    1.662100     -0.5387000     -1.8500000E-02
 N    4.685800      0.1434000     -0.7365000    
 N    7.773500     -0.1777000       1.187000    
 N    5.812700      -1.564900       1.185800    
 N    7.935600       1.750300     -0.2029000    
 N    9.674300       1.107600       1.233500    
 C   -6.184600     -0.8636000     -7.7500001E-02
 C   -6.850700      0.4749000     -0.4183000    
 C   -6.688300       1.587200      0.6258000    
 C   -3.911500     -0.9349000      -1.069600    
 C   -2.455100     -0.8320000     -0.7947000    
 C   -6.692700      -1.488200       1.205700    
 C   0.2795000     -0.6379000     -0.2788000    
 C    2.651400      -1.198700     -0.8131000    
 C   -1.542500      -1.502900      -1.608700    
 C   -2.000400     -6.4000003E-02  0.2773000    
 C  -0.1752000      -1.405800      -1.350900    
 C  -0.6331000      3.3000000E-02  0.5352000    
 C    4.027600     -0.9332000     -0.2690000    
 C   -7.373500       2.882700      0.2485000    
 C    5.915400      0.3405000     -0.2191000    
 C    6.490000     -0.4897000      0.7294000    
 C    4.580500      -1.771300      0.6742000    
 C    6.669900       1.515000     -0.7099000    
 C    8.425800      0.9301000      0.6917000    
 H   -6.401000      -1.570000     -0.8896000    
 H   -7.924200      0.3013000     -0.5709000    
 H   -6.460900      0.8357000      -1.379200    
 H   -7.112100       1.263100       1.582300    
 H   -5.623300       1.803100      0.7667000    
 H   -4.363100     -0.6136000      0.9487000    
 H    2.617900     -0.8373000      -1.848700    
 H    2.485000      -2.282900     -0.8381000    
 H   -1.877800      -2.109100      -2.446200    
 H   -2.673100      0.5011000      0.9154000    
 H    1.944300      3.7400000E-02  0.7674000    
 H   0.5000000      -1.943100      -2.010000    
 H  -0.2907000      0.6406000       1.369100    
 H    4.057700      -2.639600       1.058200    
 H   -8.098200      -2.691900       1.819900    
 H    8.192300     -0.7851000       1.880100    
 H   -7.585400       4.698300      0.9273000    
 H    10.04660      0.4669000       1.925800    
 H    10.26130       1.886300      0.9549000    


%chk=000022987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022987

0 1
O -8.016447 -1.034942 2.135566
O -4.505322 -1.735048 -1.447772
O -5.956849 -0.436617 3.022949
O -7.097883 3.916184 -0.480441
O -7.926145 2.322449 -1.951473
O 4.918978 1.427458 2.562821
N -4.711338 -0.691659 0.606992
N 1.780356 -0.671529 -0.265910
N 4.305044 -0.155855 0.237461
N 7.970686 0.047507 0.159908
N 6.503965 -1.048237 -1.329976
N 7.210612 1.284935 2.090052
N 9.488108 1.131285 1.615050
C -6.166833 -0.861673 0.594501
C -6.899482 0.150042 -0.340623
C -6.653852 1.614772 0.058350
C -3.941566 -1.175294 -0.446612
C -2.459673 -1.010648 -0.348468
C -6.657147 -0.753494 2.032570
C 0.400833 -0.792226 -0.310668
C 2.679740 -1.251144 -1.244838
C -1.665113 -1.615176 -1.356829
C -1.793699 -0.284125 0.680347
C -0.265418 -1.516696 -1.347488
C -0.396417 -0.173975 0.703259
C 4.115531 -0.911234 -0.878168
C -7.295555 2.590912 -0.906464
C 5.579737 0.169945 0.593783
C 6.668096 -0.287887 -0.207358
C 5.220897 -1.354520 -1.656599
C 5.847011 1.006277 1.823873
C 8.181900 0.829905 1.305370
H -6.407960 -1.873178 0.210715
H -7.979237 -0.078712 -0.330752
H -6.531986 -0.035166 -1.363647
H -7.039412 1.843446 1.071267
H -5.568780 1.833053 0.091419
H -4.293064 -0.380467 1.487231
H 2.469363 -0.872647 -2.271238
H 2.571526 -2.358496 -1.298260
H -2.184921 -2.163648 -2.149622
H -2.356211 0.224447 1.472836
H 2.248584 -0.145788 0.483456
H 0.310585 -2.000350 -2.143065
H 0.097023 0.393348 1.501162
H 5.076750 -1.963938 -2.554942
H -8.304702 -0.950707 3.084732
H 8.727366 -0.302307 -0.434739
H -7.521302 4.534192 -1.136594
H 10.286103 0.829862 1.061876
H 9.632721 1.698361 2.448097


