%chk=000029387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029387

0 1
 I    1.373900      -2.730000      0.6838000    
 I   -1.695900       1.893100      -1.876200    
 I    4.248000       2.164100      -1.613200    
 O   -4.068400      -2.683500     -0.9475000    
 O   -3.209000       1.053600       3.213600    
 O   -4.169200     -0.6255000      -1.904900    
 O   -3.207600       2.383700       1.371500    
 O    4.107300      8.5199997E-02   2.008600    
 N   -2.181500     -9.0599999E-02  0.1816000    
 N    3.760300     -0.7266000     -0.1757000    
 C   -1.168000     -0.9871000     -0.3732000    
 C   0.1248000     -0.2679000     -0.6526000    
 C   -3.440500     -0.8063000      0.3856000    
 C   -1.715200      0.4920000       1.439300    
 C    1.338800     -0.8380000     -0.2811000    
 C   9.2299998E-02  0.9716000      -1.285200    
 C    2.530700     -0.1632000     -0.5445000    
 C    1.284300       1.646600      -1.548500    
 C    2.503500       1.079100      -1.178200    
 C   -3.913400      -1.335100     -0.9403000    
 C   -2.785000       1.404100       1.972800    
 C    4.447700     -0.5728000       1.030900    
 C    5.742200      -1.346600       1.033500    
 H   -1.090900      -1.832500      0.3076000    
 H   -1.478900      -1.410600      -1.337500    
 H   -4.252300     -0.1675000      0.7506000    
 H   -3.329800      -1.633500       1.098200    
 H  -0.8123000       1.105300       1.351100    
 H   -1.501000     -0.2871000       2.182900    
 H    1.262800       2.615700      -2.042800    
 H    4.183800      -1.318100     -0.8874000    
 H   -4.393500      -3.009700      -1.813700    
 H   -3.893800       1.668400       3.553300    
 H    5.534200      -2.414800      0.9250000    
 H    6.270900      -1.181100       1.976200    
 H    6.376900      -1.011900      0.2081000    


%chk=000029387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029387

0 1
I 1.406179 -2.669616 0.512358
I -1.556353 1.810226 -2.714681
I 4.401032 2.209471 -1.723841
O -5.452990 -1.887456 -0.560039
O -1.488321 1.424410 3.297016
O -4.049326 -0.825942 -2.072728
O -3.434285 1.385501 2.033903
O 3.145667 -0.035364 2.140163
N -2.118976 -0.386642 0.133261
N 3.774445 -0.542053 -0.051764
C -1.215304 -1.015899 -0.878541
C 0.103822 -0.280058 -1.054574
C -3.372150 -1.137579 0.318226
C -1.482462 -0.051563 1.418221
C 1.333693 -0.769762 -0.520671
C 0.179292 0.928647 -1.808116
C 2.571779 -0.076138 -0.659712
C 1.395537 1.613986 -2.014952
C 2.573796 1.114878 -1.432964
C -4.263020 -1.228800 -0.911549
C -2.268644 0.978404 2.224484
C 4.011368 -0.467134 1.333511
C 5.375652 -0.991979 1.763347
H -1.007638 -2.080562 -0.626603
H -1.766676 -0.997048 -1.835408
H -3.973880 -0.631477 1.092906
H -3.203434 -2.188544 0.670719
H -0.480908 0.374282 1.241400
H -1.318177 -0.932575 2.089274
H 1.418343 2.529596 -2.608319
H 4.557395 -0.785946 -0.662952
H -6.041982 -1.945334 -1.360360
H -2.008569 2.081140 3.834839
H 5.295977 -2.071603 1.989738
H 5.681367 -0.473227 2.684459
H 6.153950 -0.855742 0.991649


