%chk=000052098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052098

0 1
 O    3.369400     -0.3592000       2.122400    
 O    2.524500       1.739900       1.901700    
 O   -3.618100     -0.3828000       2.080900    
 O   -1.500300      0.1929000       2.650800    
 N    1.208400      0.8403000     -0.3935000    
 N  -0.4566000     -0.7001000      0.3946000    
 C    3.572500      0.5358000     -0.9349000    
 C    4.921800     -0.1417000     -0.6174000    
 C    2.428000      0.1813000      2.2900000E-02
 C   -2.109600      -2.460300      0.5289000    
 C   -1.672200      -3.182700     -0.7605000    
 C   -1.885000     -0.9459000      0.5374000    
 C    5.986500      0.3389000      -1.607700    
 C    4.832000      -1.667700     -0.6582000    
 C  -9.0099998E-02  0.4126000     -0.1605000    
 C   -1.906100      -4.689200     -0.6126000    
 C   -2.415100      -2.669400      -1.994900    
 C    2.757100      0.6362000       1.429600    
 C   -1.219200       1.287100     -0.5757000    
 C   -2.279700     -0.3250000       1.860900    
 C   -1.732400       2.232200      0.3127000    
 C   -1.764600       1.162600      -1.853400    
 C   -2.791200       3.052600     -7.6600000E-02
 C   -2.823400       1.983200      -2.242700    
 C   -3.336700       2.928300      -1.354200    
 H    3.720900       1.624800     -0.9300000    
 H    3.270600      0.2776000      -1.959200    
 H    5.255700      0.1596000      0.3821000    
 H    2.250100     -0.8992000      2.3300000E-02
 H   -1.571500      -2.903900       1.378500    
 H   -3.172500      -2.666900      0.7147000    
 H  -0.5975000      -3.027300     -0.9157000    
 H   -2.543700     -0.5481000     -0.2348000    
 H    1.329700       1.755600     -0.8222000    
 H    6.962300     -0.1002000      -1.374000    
 H    6.093600       1.428000      -1.565900    
 H    5.727900      6.2199999E-02  -2.635500    
 H    4.180100      -2.058200      0.1278000    
 H    5.819700      -2.117400     -0.5083000    
 H    4.447900      -2.015600      -1.623200    
 H   -1.354900      -5.085700      0.2468000    
 H   -1.563000      -5.225900      -1.503500    
 H   -2.968200      -4.915200     -0.4687000    
 H   -2.146800      -1.638400      -2.222700    
 H   -2.161500      -3.267800      -2.876800    
 H   -3.500200      -2.719300      -1.855100    
 H   -1.297100       2.367300       1.298600    
 H   -1.357100      0.4482000      -2.562600    
 H    3.596600     -8.2699999E-02   3.035600    
 H   -3.185500       3.793800      0.6124000    
 H   -3.244200       1.890400      -3.239600    
 H   -3.866300      3.0999999E-02   2.934900    
 H   -4.159000       3.569100      -1.658400    


%chk=000052098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052098

0 1
O 2.931121 -0.540225 2.136229
O 2.490869 1.718724 1.826908
O -3.169581 -1.369827 2.864016
O -1.758209 0.460323 2.951889
N 1.056251 0.915093 -0.574558
N -0.423777 -0.448741 0.598989
C 3.432804 0.421480 -1.000249
C 4.728706 -0.354552 -0.645425
C 2.208575 0.154966 -0.081714
C -1.762743 -2.514133 0.744961
C -1.441335 -2.986043 -0.695629
C -1.763198 -0.967915 0.909696
C 5.863116 0.075838 -1.605909
C 4.520316 -1.887175 -0.691057
C -0.245161 0.599269 -0.174378
C -1.325770 -4.528697 -0.721559
C -2.491440 -2.502651 -1.724900
C 2.529015 0.557289 1.368497
C -1.295227 1.515872 -0.746163
C -2.175579 -0.536950 2.323780
C -2.186221 2.212283 0.111897
C -1.395554 1.696050 -2.151386
C -3.166377 3.071210 -0.432798
C -2.382954 2.549612 -2.692090
C -3.270537 3.239621 -1.833436
H 3.649501 1.510491 -0.990316
H 3.126208 0.156427 -2.031999
H 5.032474 -0.081972 0.386146
H 1.934217 -0.910957 -0.076109
H -1.002983 -2.926191 1.436592
H -2.747854 -2.907931 1.056673
H -0.456957 -2.558360 -0.975080
H -2.563137 -0.545763 0.254286
H 1.228144 1.871596 -0.890348
H 6.810314 -0.433733 -1.350513
H 6.040865 1.166833 -1.561000
H 5.612468 -0.185124 -2.652557
H 3.808072 -2.224770 0.081730
H 5.476525 -2.413967 -0.515907
H 4.138621 -2.201618 -1.682265
H -0.556682 -4.885003 -0.010834
H -1.052999 -4.892755 -1.729796
H -2.288577 -4.999630 -0.442093
H -2.523665 -1.400092 -1.803514
H -2.260767 -2.897266 -2.732227
H -3.504597 -2.854764 -1.448716
H -2.083552 2.097663 1.196881
H -0.710401 1.154752 -2.813873
H 3.121007 -0.237386 3.066137
H -3.843478 3.613204 0.236572
H -2.460023 2.675673 -3.777826
H -3.430300 -1.009517 3.755339
H -4.033551 3.905139 -2.252492


