%chk=000167670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167670

0 1
 I    2.841600      -3.023800       1.167500    
 O   -1.428000     -0.5448000     -0.8889000    
 O   -1.403900       2.634400      0.7106000    
 O   -3.437800      0.5814000       1.852100    
 O   -3.363300      -2.571200      -1.226600    
 O    1.350000       2.412400      -1.120000    
 N   0.6551000      0.3593000     -0.3334000    
 N    2.976900      0.9862000     -0.4415000    
 N    4.667200     -0.4309000      0.2376000    
 C   -1.392700       1.218300      0.7100000    
 C   -2.796700      0.6685000      0.5944000    
 C  -0.7320000      0.6634000     -0.5421000    
 C   -2.529600     -0.7103000      1.7999999E-02
 C   -3.719500      -1.294700     -0.7214000    
 C    1.031500     -0.8701000      0.1862000    
 C    1.651100       1.311200     -0.6561000    
 C    2.303600      -1.212900      0.4039000    
 C    3.326400     -0.1764000      4.9800001E-02
 H  -0.9105000      0.8847000       1.636300    
 H   -3.415300       1.280800     -7.2700001E-02
 H  -0.8323000       1.353200      -1.388400    
 H   -2.210400      -1.414100      0.7976000    
 H   -3.996900     -0.6666000      -1.574400    
 H   -4.581700      -1.405700     -5.6800000E-02
 H   -1.840400       2.938900     -0.1031000    
 H   -3.475900       1.480000       2.221800    
 H   0.2320000      -1.559400      0.4330000    
 H   -4.140600      -2.921000      -1.694600    
 H    5.368000      0.2631000      1.0000000E-03
 H    4.996000      -1.313700      0.6143000    


%chk=000167670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167670

0 1
I 3.059086 -3.359244 -0.043109
O -1.513393 -0.566453 -0.983647
O -1.605893 2.844923 0.169437
O -3.581070 0.835344 1.689226
O -3.364018 -2.885768 -0.498355
O 1.085164 2.575164 -0.071205
N 0.657843 0.289890 -0.346932
N 2.863917 1.073699 0.230608
N 4.622678 -0.406825 0.546860
C -1.495292 1.427082 0.411569
C -2.894776 0.783122 0.406774
C -0.754291 0.650487 -0.723019
C -2.593159 -0.683332 0.056247
C -3.753394 -1.469232 -0.519528
C 1.091629 -1.014093 -0.346991
C 1.555560 1.389669 -0.052852
C 2.409160 -1.313562 -0.045344
C 3.302676 -0.209565 0.246108
H -1.002455 1.209359 1.384416
H -3.490560 1.269976 -0.394977
H -0.710844 1.258748 -1.645159
H -2.198761 -1.209190 0.948610
H -3.961132 -1.116555 -1.551177
H -4.640776 -1.286670 0.122691
H -0.655934 3.164423 0.086562
H -3.717602 1.786826 1.928669
H 0.336258 -1.761061 -0.604064
H -4.080567 -3.432626 -0.906318
H 5.192969 0.415661 0.737700
H 5.028877 -1.339997 0.581295


