%chk=000162405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162405

0 1
 I    5.723300       1.932800     -0.8468000    
 O    1.086200       1.139200      -1.556400    
 O    1.493900      -2.822900      7.0699997E-02
 O    3.879300      0.4474000       1.835300    
 O   -5.645500     -0.4194000     -0.2112000    
 O   -5.173600       1.163800       1.241000    
 N    3.004900     -0.3510000     -0.1627000    
 N   -4.825300      0.3271000      0.3741000    
 C    1.616700     -0.3879000      0.2566000    
 C   0.7023000     -0.1012000     -0.9539000    
 C  -0.7636000      1.2500000E-02 -0.6018000    
 C    1.332000      -1.722300      0.9562000    
 C   -1.678500     -0.8065000      -1.241500    
 C   -1.160700      0.9329000      0.3532000    
 C    4.022100      6.8000004E-02  0.6742000    
 C   -3.031000     -0.7017000     -0.9167000    
 C   -2.513200       1.037800      0.6781000    
 C   -3.448300      0.2204000      4.3200001E-02
 C    5.379100      3.0999999E-02  8.2999999E-03
 H    1.500800      0.4110000      0.9990000    
 H   0.8492000     -0.8734000      -1.719500    
 H   0.3110000      -1.746700       1.350300    
 H    2.018500      -1.867700       1.797600    
 H    3.235100     -0.7059000      -1.086500    
 H   -1.365200      -1.528600      -1.989800    
 H  -0.4495000       1.586800      0.8485000    
 H    2.030600       1.076000      -1.778800    
 H   -3.730800      -1.355000      -1.431600    
 H   -2.801700       1.769300       1.428500    
 H    1.297300      -3.628900      0.5779000    
 H    5.415100     -0.7613000     -0.7464000    
 H    6.129700     -0.2110000      0.7680000    


%chk=000162405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162405

0 1
I 5.986110 -0.847136 -1.667947
O 1.167348 1.598917 -0.976683
O 1.431496 -2.646246 -0.817070
O 3.705977 0.829310 1.728252
O -5.623950 -0.801003 0.099645
O -5.364381 1.171690 1.214572
N 3.032490 -0.425159 -0.125631
N -4.904547 0.189959 0.512740
C 1.608780 -0.503573 0.256443
C 0.742937 0.203221 -0.846648
C -0.737487 0.211603 -0.503355
C 1.220305 -1.970174 0.480641
C -1.575144 -0.845513 -0.943321
C -1.287509 1.267894 0.266021
C 3.976374 0.193647 0.661879
C -2.943716 -0.862014 -0.613762
C -2.654229 1.267841 0.604676
C -3.463117 0.197963 0.161825
C 5.452018 0.126962 0.261964
H 1.497632 0.058636 1.202025
H 0.898087 -0.344924 -1.798701
H 0.162190 -2.044553 0.796083
H 1.869357 -2.404974 1.266303
H 3.333536 -1.017100 -0.909131
H -1.148797 -1.652795 -1.550152
H -0.637869 2.094967 0.564777
H 2.154281 1.615868 -1.073728
H -3.610359 -1.661964 -0.945801
H -3.102958 2.072667 1.192773
H 1.390026 -3.626765 -0.701160
H 6.011126 -0.430945 1.028762
H 5.854192 1.148294 0.190808


