%chk=000104471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104471

0 1
O 1.547332 0.083782 1.334064
O 0.819886 0.375466 -0.876920
C 0.497176 0.603244 0.499244
C -0.809515 -0.179188 0.705636
C -1.992518 0.446461 -0.037566
C -3.278884 -0.395811 0.102150
C 0.462203 2.080476 0.870719
C -3.189847 -1.690767 -0.715120
C -4.495791 0.429898 -0.338878
C 2.085941 -1.211546 1.012147
C 2.125767 0.767541 -1.340959
C 3.153796 -1.131367 -0.038603
C 3.168161 -0.273645 -1.060140
H -0.659904 -1.221821 0.354016
H -1.012267 -0.244663 1.791810
H -2.176847 1.469167 0.342431
H -1.729301 0.564863 -1.108629
H -3.412455 -0.666830 1.179074
H 0.085406 2.682598 0.036709
H -0.177060 2.259967 1.742566
H 1.465293 2.443019 1.136782
H -2.328790 -2.296143 -0.411796
H -3.078050 -1.484359 -1.785472
H -4.087755 -2.304095 -0.590485
H -4.408120 0.751881 -1.382237
H -5.420170 -0.151454 -0.255029
H -4.616715 1.328071 0.275061
H 1.275778 -1.898016 0.698817
H 2.494398 -1.529493 1.992298
H 2.413679 1.742227 -0.904536
H 1.943722 0.880542 -2.429118
H 3.955677 -1.861520 0.089444
H 3.987274 -0.279582 -1.782878


%chk=000104471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104471

0 1
O 1.585783 0.015843 1.360291
O 0.832574 0.463557 -0.896264
C 0.511126 0.607004 0.533598
C -0.822949 -0.151045 0.713312
C -2.011761 0.441293 -0.076810
C -3.339959 -0.344296 0.100457
C 0.462020 2.072098 0.995125
C -3.260466 -1.775723 -0.484227
C -4.508995 0.435458 -0.548253
C 2.107154 -1.289968 0.912807
C 2.186484 0.882470 -1.305116
C 3.182416 -1.163775 -0.149718
C 3.229729 -0.198696 -1.101961
H -0.663225 -1.198994 0.399012
H -1.053220 -0.160527 1.796384
H -2.183416 1.487694 0.247107
H -1.746669 0.477571 -1.151591
H -3.545572 -0.427807 1.190162
H -0.196088 2.661516 0.336714
H 0.079656 2.125769 2.028484
H 1.471415 2.516053 0.990541
H -2.493681 -2.390771 0.020460
H -3.010551 -1.739904 -1.562221
H -4.229327 -2.298667 -0.377805
H -4.344361 0.548302 -1.637471
H -5.471095 -0.091124 -0.405576
H -4.607080 1.448613 -0.114958
H 1.284691 -1.945770 0.559305
H 2.533809 -1.744247 1.824644
H 2.481356 1.818960 -0.787462
H 2.091862 1.110676 -2.382117
H 3.983390 -1.916198 -0.113894
H 4.072452 -0.186463 -1.808357


