%chk=000132829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132829

0 1
 O   0.1224000      0.4093000      0.3155000    
 O   -2.075300       1.174300      0.2288000    
 O    2.612000     -0.4320000     -0.8477000    
 O   -3.556200      -2.634300      0.6067000    
 O   -5.278000     -0.5269000     -0.3423000    
 O    1.116700       2.811100       1.264900    
 O    3.922800       2.058100       1.511800    
 O    2.202100       1.148900      -2.569500    
 O   -3.577000       3.389700     -0.3800000    
 O    5.129500      -1.446500     -0.5279000    
 O   0.8099000      -2.249400       1.448300    
 N  -0.7839000      -2.259500     -0.2479000    
 C   -1.640300      -1.217800      0.2804000    
 C   -1.178500      0.1572000     -0.2145000    
 C   0.8815000       1.254600     -0.5508000    
 C   -3.098000      -1.484100     -0.1070000    
 C   -3.998000     -0.2961000      0.2402000    
 C    1.852600       2.105400      0.2693000    
 C   -3.397100       1.009200     -0.2879000    
 C    2.925700       1.230100      0.9194000    
 C    1.632900      0.3569000      -1.532600    
 C    3.586800      0.3357000     -0.1368000    
 C   -4.204400       2.231100      0.1386000    
 C    4.566100     -0.6484000      0.4970000    
 C   0.3696000      -2.683300      0.3871000    
 C    1.056000      -3.793300     -0.3630000    
 H   -1.549200      -1.248000       1.374800    
 H   -1.155100      0.1557000      -1.313300    
 H   0.2124000       1.946300      -1.081300    
 H   -3.185100      -1.721500      -1.174600    
 H   -4.129200     -0.2493000       1.328900    
 H    2.327900       2.861700     -0.3665000    
 H   -3.347900       1.001800      -1.385300    
 H    2.482100      0.6218000       1.717300    
 H   0.9438000     -0.3517000      -2.003000    
 H    4.146000      0.9421000     -0.8619000    
 H   -1.017800      -2.655300      -1.154100    
 H   -4.239600       2.328400       1.228700    
 H   -5.227100       2.199100     -0.2464000    
 H    5.377100     -0.1338000       1.020100    
 H    4.060600      -1.317700       1.201100    
 H   -3.494500      -2.443800       1.558300    
 H   -5.895700      0.1238000      3.0999999E-02
 H   0.6686000       2.153800       1.824400    
 H    3.475600       2.638700       2.151000    
 H    2.283300      0.5801000      -3.353700    
 H   -2.667000       3.410100     -3.7300002E-02
 H    4.399200      -1.901200     -0.9814000    
 H    1.198900      -3.508600      -1.409400    
 H   0.4490000      -4.701300     -0.3105000    
 H    2.035200      -3.988100      8.2999997E-02


%chk=000132829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132829

0 1
O 0.113415 0.443734 0.105600
O -2.066398 1.286328 0.091324
O 2.693325 -0.304993 -1.216306
O -3.696377 -2.617855 0.580423
O -5.392163 -0.377687 -0.097542
O 1.140083 2.691365 1.401191
O 3.834541 1.654873 1.757700
O 2.318980 1.642712 -2.604722
O -3.666245 3.543379 -0.588625
O 5.265986 -1.417399 -0.916332
O 0.262788 -2.392717 1.966024
N -0.809631 -2.274661 -0.095084
C -1.664224 -1.158116 0.296564
C -1.207915 0.177698 -0.356540
C 0.925366 1.386700 -0.699092
C -3.152159 -1.399191 -0.038080
C -4.017360 -0.179631 0.352721
C 1.878352 2.041378 0.312978
C -3.484953 1.097208 -0.322639
C 2.860308 0.996717 0.887051
C 1.712490 0.609124 -1.777367
C 3.651943 0.330927 -0.250614
C -4.213907 2.374790 0.098702
C 4.554150 -0.812645 0.214159
C 0.154689 -2.794016 0.769935
C 1.076189 -3.839299 0.157456
H -1.526590 -1.031074 1.389723
H -1.259664 0.118233 -1.472280
H 0.274236 2.140485 -1.177274
H -3.286782 -1.576085 -1.124181
H -3.974438 -0.054876 1.459364
H 2.448858 2.845770 -0.180546
H -3.537205 0.987331 -1.427597
H 2.282397 0.228551 1.444288
H 1.048512 -0.052484 -2.368501
H 4.245642 1.093211 -0.790934
H -0.913992 -2.677468 -1.027717
H -4.151887 2.486572 1.202287
H -5.270858 2.308119 -0.199656
H 5.326183 -0.418952 0.891788
H 3.943706 -1.566568 0.756124
H -3.344194 -2.705366 1.503767
H -5.656785 -1.299241 0.164394
H 0.410059 2.070292 1.670354
H 3.321814 2.258811 2.357385
H 2.839433 1.217864 -3.333194
H -2.700349 3.594752 -0.368196
H 4.581648 -1.656390 -1.593805
H 1.977937 -3.332059 -0.233427
H 0.607356 -4.400059 -0.670584
H 1.395092 -4.544991 0.939534


