%chk=000097741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097741

0 1
 I    3.647400      -4.025000      0.3955000    
 O  -0.7833000      -1.598100       1.597900    
 O   -3.473600      -1.296100       1.408600    
 O   -4.584600      6.9499999E-02 -0.7214000    
 O    5.171700      -1.190900     -0.1491000    
 O    2.455300       3.192600       1.465000    
 N   0.6754000       2.395500      0.1947000    
 C    1.445400       1.859000     -0.9073000    
 C   0.7022000       1.996400      -2.250700    
 C  -0.1669000      0.8117000      -2.689000    
 C    1.928600      0.4518000     -0.6067000    
 C   -1.025400      0.2439000      -1.587000    
 C  -0.4382000     -0.4556000     -0.5059000    
 C    1.030600     -0.6282000     -0.4042000    
 C   -1.288600     -0.9690000      0.4921000    
 C    3.315000      0.2281000     -0.5131000    
 C   -2.418400      0.4111000      -1.643800    
 C    1.569600      -1.898600     -0.1171000    
 C   -2.672400     -0.7982000      0.4233000    
 C   -3.236500     -0.1085000     -0.6435000    
 C    3.819400      -1.038300     -0.2256000    
 C    2.947400      -2.101000     -2.7799999E-02
 C    1.252900       3.016900       1.286700    
 C   0.2245000       3.503500       2.272400    
 C  -0.5001000     -0.7805000       2.727900    
 C   -4.264900     -0.3582000       2.134000    
 C   -5.332600     -0.9338000      -1.405800    
 H    2.322900       2.515200     -0.9886000    
 H    1.445700       2.151300      -3.044500    
 H   8.8900000E-02   2.907400      -2.233500    
 H   0.4644000      9.3999999E-03  -3.093900    
 H  -0.7910000       1.130200      -3.533800    
 H  -0.3340000       2.281000      0.1767000    
 H    4.010200       1.051500     -0.6643000    
 H   -2.868000      0.9518000      -2.473700    
 H   0.8998000      -2.748100      9.3999999E-03
 H   0.7160000       3.787200       3.207100    
 H  -0.2937000       4.373100       1.859000    
 H  -0.5016000       2.713500       2.485500    
 H    5.361400      -2.122700      5.6299999E-02
 H  -8.7499999E-02  -1.417500       3.515000    
 H   -1.410200     -0.3069000       3.107600    
 H   0.2411000     -1.4600000E-02   2.479400    
 H   -5.278000     -0.3263000       1.723600    
 H   -3.823100      0.6445000       2.136900    
 H   -4.330900     -0.7038000       3.169900    
 H   -5.209300      -1.906500     -0.9191000    
 H   -5.021400     -0.9955000      -2.453500    
 H   -6.389600     -0.6566000      -1.370300    


%chk=000097741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097741

0 1
I 3.786116 -4.113397 0.274011
O -0.610798 -1.591229 1.566304
O -3.488633 -1.216014 1.435222
O -4.562343 0.230310 -0.807477
O 5.331524 -1.218531 -0.353372
O 2.233761 4.086484 0.789290
N 0.731056 2.412540 0.174771
C 1.570597 1.897755 -0.929870
C 0.862396 2.039774 -2.313527
C -0.010368 0.818801 -2.717174
C 2.045374 0.465050 -0.659537
C -0.919438 0.313627 -1.607407
C -0.356768 -0.390006 -0.497668
C 1.122576 -0.605541 -0.428030
C -1.227330 -0.876294 0.533152
C 3.430354 0.215434 -0.623630
C -2.315513 0.515286 -1.681373
C 1.640337 -1.898624 -0.156566
C -2.635188 -0.662264 0.450920
C -3.167726 0.019762 -0.678069
C 3.945901 -1.076316 -0.366297
C 3.026362 -2.129977 -0.131076
C 1.136742 3.472605 0.971144
C 0.168691 3.859288 2.087107
C -1.115232 -1.509748 2.950196
C -4.295983 -0.229632 2.194395
C -5.341982 -1.002802 -1.075228
H 2.448960 2.567493 -0.924778
H 1.634059 2.184053 -3.094234
H 0.252509 2.962211 -2.283760
H 0.665725 -0.001460 -3.026352
H -0.614121 1.090727 -3.602042
H -0.153197 1.939530 0.368392
H 4.150517 1.025255 -0.777017
H -2.763334 1.034811 -2.534164
H 0.945530 -2.717908 0.036845
H 0.683865 3.758658 3.058171
H -0.107178 4.921605 1.972363
H -0.751813 3.249629 2.103411
H 5.582100 -2.160342 -0.148157
H -0.286346 -1.893300 3.565312
H -2.019250 -2.124320 3.077975
H -1.330464 -0.460487 3.230406
H -4.891543 0.395673 1.507409
H -3.635640 0.409797 2.812427
H -4.953418 -0.827334 2.844097
H -5.199687 -1.742824 -0.267091
H -5.036690 -1.440040 -2.044516
H -6.393071 -0.680166 -1.123609


