%chk=000034503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034503

0 1
 I   0.4567000      0.8401000      -2.611300    
 I   -2.287200      -2.250800       1.907300    
 I    3.661200      -1.998200       1.752900    
 O   -3.606000       1.147900     -0.7621000    
 O    4.701700       1.500700      -1.005400    
 O    2.951600       1.814900      0.4062000    
 N   -1.878700     -0.4417000     -0.7808000    
 C  -0.5888000     -0.7879000     -0.2182000    
 C   -2.485800      -1.341200      -1.774300    
 C   -1.733400       1.595100      0.6477000    
 C   -2.511500      0.7484000     -0.3572000    
 C   0.5449000     -0.3380000     -0.8454000    
 C   -2.483200       2.863900       1.056500    
 C    1.782200     -0.6748000     -0.2965000    
 C  -0.5692000      -1.551900      0.9215000    
 C   -3.349700      -2.377500      -1.081600    
 C    1.843900      -1.450200      0.8614000    
 C    3.052800     -0.2094000     -0.9440000    
 C   0.6682000      -1.888700       1.470400    
 C   -1.698800       3.669600       2.079600    
 C    3.529200       1.129800     -0.4267000    
 H   -3.107800     -0.7391000      -2.445900    
 H   -1.706200      -1.822500      -2.374100    
 H  -0.7737000       1.892200      0.2170000    
 H   -1.545600       1.006700       1.550600    
 H   -2.672800       3.486600      0.1741000    
 H   -3.460900       2.601700       1.478000    
 H   -2.756700      -3.195700     -0.6715000    
 H   -4.051900      -1.939200     -0.3689000    
 H   -3.973400      -2.858500      -1.846900    
 H    2.971600     -0.1548000      -2.032400    
 H    3.863000     -0.9330000     -0.8182000    
 H   0.7162000      -2.492600       2.374200    
 H   -1.525100       3.085800       2.989200    
 H   -2.252300       4.572400       2.355900    
 H  -0.7280000       3.975900       1.676900    
 H    5.014100       2.369200     -0.6733000    


%chk=000034503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034503

0 1
I 0.461259 0.797114 -2.526281
I -2.142659 -2.112727 2.269004
I 3.881424 -2.106378 1.807845
O -3.652078 0.991148 -0.774166
O 4.803914 1.344168 -1.455105
O 3.207606 1.793070 0.174261
N -1.835264 -0.439424 -0.625981
C -0.556302 -0.787706 -0.085127
C -2.377559 -1.238998 -1.769468
C -1.890979 1.598752 0.839705
C -2.542834 0.717959 -0.230005
C 0.652710 -0.426950 -0.757479
C -2.676343 2.901476 1.091444
C 1.950415 -0.785448 -0.294374
C -0.422939 -1.523204 1.126261
C -3.455205 -2.264817 -1.370706
C 2.003046 -1.519326 0.922471
C 3.203632 -0.385140 -1.038950
C 0.841940 -1.881237 1.633935
C -2.030100 3.752765 2.204416
C 3.686344 1.018159 -0.676343
H -2.806434 -0.515542 -2.485092
H -1.522333 -1.741448 -2.256113
H -0.849743 1.832414 0.538609
H -1.813336 1.022967 1.784476
H -2.732848 3.480057 0.150634
H -3.719873 2.649314 1.354583
H -3.056577 -3.039525 -0.693777
H -4.301279 -1.761218 -0.875028
H -3.836616 -2.762916 -2.281801
H 3.053449 -0.409268 -2.132544
H 4.034504 -1.080745 -0.823113
H 0.918932 -2.437380 2.569632
H -2.001974 3.202441 3.164391
H -2.596434 4.687367 2.369350
H -0.990033 4.029436 1.946972
H 5.121167 2.255989 -1.211833


