%chk=000038701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038701

0 1
 O   0.1649000     -0.6296000      -1.604000    
 O  -0.3635000      -1.650000       1.795300    
 O   -5.610700      0.9303000     -0.4604000    
 N    2.713600     -0.6032000     -0.4295000    
 N    4.915500       1.116100      0.3151000    
 N   0.3989000      -1.159300     -0.3268000    
 C    2.529100      0.5057000      0.5147000    
 C    4.088400      -1.112900     -0.3582000    
 C    3.540400       1.625400      0.2458000    
 C    5.099600      6.6000000E-03 -0.6284000    
 C    1.749900      -1.671000     -0.1708000    
 C    5.878400       2.184300      5.4499999E-02
 C  -0.5470000      -1.190800      0.6693000    
 C   -1.881000     -0.6323000      0.3722000    
 C   -2.859700      -1.461100     -0.1478000    
 C   -2.122500      0.7077000      0.6203000    
 C   -4.119900     -0.9332000     -0.4289000    
 C   -3.382800       1.235700      0.3395000    
 C   -4.381500      0.4151000     -0.1851000    
 C   -5.810100       2.316500     -0.1870000    
 H    2.634700      0.1570000       1.551300    
 H    1.532200      0.9511000      0.4241000    
 H    4.232400      -1.896600      -1.111800    
 H    4.289300      -1.562900      0.6237000    
 H    3.338600       2.077200     -0.7350000    
 H    3.397600       2.407800       1.001200    
 H    6.109400     -0.4077000     -0.5207000    
 H    4.997600      0.3534000      -1.665700    
 H    1.877500      -2.104800      0.8280000    
 H    1.865700      -2.474100     -0.9081000    
 H    5.767100       2.989600      0.7890000    
 H    5.761700       2.613000     -0.9475000    
 H    6.903500       1.809800      0.1520000    
 H   0.4785000      0.2822000      -1.482400    
 H   -2.662900      -2.511900     -0.3402000    
 H   -1.348100       1.351500       1.028000    
 H   -4.893700      -1.577100     -0.8377000    
 H   -3.517600       2.290600      0.5524000    
 H   -5.159400       2.945800     -0.8036000    
 H   -5.707700       2.534700      0.8814000    
 H   -6.842000       2.555500     -0.4646000    


%chk=000038701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038701

0 1
O 0.590186 -0.763104 -1.237966
O -0.554012 -1.014321 2.213316
O -5.531868 1.379410 -1.118765
N 2.756027 -0.682341 0.148286
N 5.115416 0.951866 -0.126446
N 0.432845 -1.173264 0.150320
C 2.905808 0.582846 0.926168
C 4.076945 -1.300646 -0.142560
C 3.796328 1.565992 0.151452
C 4.961356 -0.298587 -0.904148
C 1.733036 -1.606863 0.707331
C 6.063017 1.895535 -0.749936
C -0.646597 -0.794852 0.952474
C -1.887654 -0.221199 0.344455
C -2.190015 -0.174088 -1.047429
C -2.849030 0.277379 1.262926
C -3.410532 0.359935 -1.493095
C -4.071079 0.823154 0.827395
C -4.353267 0.865452 -0.562649
C -6.547416 1.900793 -0.199571
H 3.362630 0.376050 1.918661
H 1.903598 1.018684 1.086141
H 3.918004 -2.204678 -0.758353
H 4.594317 -1.597199 0.797067
H 3.271220 1.866998 -0.792560
H 3.947887 2.477133 0.758839
H 5.960799 -0.744104 -1.063504
H 4.506627 -0.107165 -1.911360
H 1.637686 -1.586186 1.807804
H 1.966982 -2.631270 0.364315
H 6.192986 2.776153 -0.096038
H 5.732403 2.257276 -1.756226
H 7.048276 1.409988 -0.867517
H 1.587169 -0.464095 -1.170011
H -1.469080 -0.555881 -1.771780
H -2.614010 0.215389 2.330615
H -3.656957 0.396479 -2.558635
H -4.786048 1.201211 1.564107
H -6.157489 2.753666 0.389181
H -6.911713 1.111714 0.486339
H -7.370382 2.240839 -0.845047


