%chk=000015499.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015499

0 1
 O    3.213100      0.9006000      0.2481000    
 O  -0.6687000       2.057400     -0.8763000    
 N  -0.9330000      0.2194000      0.5229000    
 N    5.044900      -1.089200     -0.6343000    
 C    2.797900     -0.4665000      0.1414000    
 C    1.313600     -0.4768000     -0.1968000    
 C   0.4972000      0.2613000      0.8610000    
 C    3.615500      -1.173000     -0.9433000    
 C    5.447600      0.3098000     -0.4835000    
 C    4.599000      0.9906000      0.5831000    
 C   -2.916600       1.527200     -0.3484000    
 C   -1.412700       1.272200     -0.2740000    
 C   -1.677900     -0.8763000      0.9952000    
 C   -3.608200      0.4136000      -1.060400    
 C   -2.830400      -1.336100      0.4663000    
 C   -3.547800     -0.8767000     -0.7042000    
 C   -3.530500       1.917500      0.9940000    
 C   -1.114500      -1.638000       2.178600    
 C   -4.288500      -1.937100      -1.469400    
 H    2.949300     -0.9579000       1.112200    
 H   0.9640000      -1.511900     -0.2922000    
 H    1.152500      3.4000000E-03  -1.170700    
 H   0.8040000       1.314900      0.8871000    
 H   0.7038000     -0.1093000       1.868000    
 H    3.323800      -2.226800      -1.008400    
 H    3.432500     -0.7165000      -1.924200    
 H    5.332500      0.8275000      -1.443500    
 H    6.504800      0.3574000     -0.2032000    
 H    4.764400      0.5511000       1.574200    
 H    4.857700       2.052400      0.6445000    
 H    5.581000      -1.517600      -1.388200    
 H   -3.025200       2.410100     -0.9963000    
 H   -4.197300      0.6948000      -1.931000    
 H   -3.291300      -2.208800      0.9300000    
 H   -4.574100       2.225900      0.8662000    
 H   -3.514500       1.106900       1.727700    
 H   -2.982500       2.758600       1.433300    
 H  -0.1833000      -2.150900       1.917500    
 H   -1.803200      -2.411300       2.539100    
 H  -0.9440000     -0.9653000       3.026300    
 H   -5.040700      -2.419100     -0.8356000    
 H   -3.594500      -2.704200      -1.830200    
 H   -4.807700      -1.527900      -2.342900    


%chk=000015499-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015499

0 1
O 3.290135 0.914958 0.174756
O -0.804977 2.366793 -0.674563
N -0.972780 0.398024 0.568195
N 5.014551 -1.242457 -0.568528
C 2.770762 -0.470629 0.091056
C 1.282530 -0.362777 -0.259400
C 0.506642 0.485325 0.773059
C 3.583104 -1.274003 -0.946724
C 5.542415 0.139874 -0.510413
C 4.721434 0.925002 0.526431
C -3.077938 1.579648 -0.246100
C -1.545525 1.480701 -0.151403
C -1.643278 -0.778861 1.014279
C -3.610650 0.437046 -1.096659
C -2.750501 -1.343443 0.412084
C -3.494501 -0.888616 -0.763426
C -3.773617 1.728092 1.135792
C -1.044748 -1.464967 2.235813
C -4.169679 -1.971223 -1.593774
H 2.907583 -0.956999 1.085962
H 0.859376 -1.386164 -0.308673
H 1.166229 0.097602 -1.257713
H 0.797804 1.539274 0.661072
H 0.751513 0.166171 1.800081
H 3.233967 -2.323434 -0.953957
H 3.387061 -0.832244 -1.955474
H 5.472956 0.671607 -1.491185
H 6.604178 0.114475 -0.201985
H 4.864655 0.471184 1.530713
H 5.008259 1.989442 0.550546
H 5.591632 -1.868640 -1.142547
H -3.234686 2.520820 -0.800804
H -4.131203 0.711514 -2.023490
H -3.090552 -2.289467 0.854993
H -4.849401 1.928549 0.985079
H -3.680028 0.817081 1.748084
H -3.339018 2.576858 1.694903
H -0.052043 -1.910041 2.035522
H -1.710485 -2.278401 2.565693
H -0.927670 -0.757377 3.078473
H -4.864041 -2.569521 -0.971407
H -3.428387 -2.675675 -2.016812
H -4.749077 -1.539700 -2.427850


