%chk=000002515.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002515

0 1
 O   -4.804100      0.2500000      -1.850400    
 O    4.974200      0.3404000      6.2799998E-02
 O    3.806700      -1.115300      -1.276600    
 N   -2.943000      0.7010000      0.2269000    
 N   -1.538900      -1.158600      0.7336000    
 N  -0.2991000      -1.698100      0.8807000    
 N    2.074600      -1.483300      0.8216000    
 N    3.146500     -0.6544000      0.8971000    
 C   -4.136800     -8.8399999E-02  0.4293000    
 C   -4.541600     -0.7616000     -0.8797000    
 C   -3.091100       2.105300     -0.1557000    
 C   -1.666300      0.1441000      0.3772000    
 C   -5.798600      -1.602300     -0.7006000    
 C   -2.918300       2.998300       1.057800    
 C  -0.5635000      0.9550000      0.1548000    
 C   0.6978000      0.4061000      0.3046000    
 C   0.7852000     -0.9227000      0.6681000    
 C    3.959100     -0.5339000     -0.2066000    
 C    5.902800      0.5662000      -1.003700    
 C    6.954500       1.552100     -0.5413000    
 H   -3.997200     -0.8330000       1.222700    
 H   -4.948200      0.5657000      0.7753000    
 H   -3.731000      -1.387900      -1.267100    
 H   -4.104000       2.284700     -0.5364000    
 H   -2.437400       2.393100     -0.9865000    
 H   -6.640000     -0.9900000     -0.3580000    
 H   -5.636300      -2.409300      2.0199999E-02
 H   -6.100400      -2.043300      -1.656800    
 H   -3.654300       2.750800       1.830900    
 H   -1.928400       2.918100       1.514500    
 H   -3.070200       4.045600      0.7768000    
 H  -0.6047000       1.996600     -0.1362000    
 H   -5.574600      0.7621000      -1.550600    
 H    1.557100       1.042100      0.1227000    
 H    2.175100      -2.443100       1.123100    
 H    3.299700     -0.1749000       1.776900    
 H    5.370400      0.9724000      -1.870900    
 H    6.379200     -0.3811000      -1.279300    
 H    7.682100       1.748100      -1.333700    
 H    6.491100       2.498800     -0.2445000    
 H    7.483100       1.167800      0.3373000    


%chk=000002515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002515

0 1
O -4.847346 0.204742 -2.053337
O 5.064609 0.138348 0.004048
O 3.367306 -0.979515 -1.203687
N -2.994846 0.915251 0.282294
N -1.525180 -0.877085 0.710040
N -0.281365 -1.385045 0.960452
N 2.010415 -1.209578 1.333386
N 3.235095 -0.586695 1.123896
C -4.089496 -0.072070 0.308059
C -4.326810 -0.766341 -1.055412
C -3.298659 2.313499 -0.079752
C -1.693873 0.488423 0.525414
C -5.255594 -1.984180 -0.927904
C -3.508737 3.236977 1.143112
C -0.573327 1.384714 0.586048
C 0.693461 0.855712 0.834628
C 0.799660 -0.551125 1.021929
C 3.834285 -0.524614 -0.135703
C 5.853168 0.278609 -1.255395
C 7.138577 1.012371 -0.887420
H -3.835065 -0.847118 1.051262
H -5.019671 0.438844 0.629824
H -3.351295 -1.070865 -1.466501
H -4.203029 2.296115 -0.711110
H -2.492799 2.709379 -0.727203
H -6.224980 -1.706862 -0.465758
H -4.789874 -2.762751 -0.297807
H -5.455794 -2.417216 -1.923261
H -4.347584 2.878009 1.766649
H -2.608611 3.273472 1.782691
H -3.741877 4.267130 0.814510
H -0.698077 2.461654 0.450798
H -5.814744 0.336977 -1.875028
H 1.577771 1.496944 0.885704
H 1.977506 -2.231052 1.251170
H 3.748465 -0.232462 1.932969
H 5.243387 0.836211 -1.989113
H 6.044742 -0.730748 -1.662334
H 7.763085 1.144132 -1.789690
H 6.918340 2.009359 -0.468943
H 7.719961 0.441653 -0.143224


