%chk=000182276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182276

0 1
O 3.466972 -0.448291 0.467767
O -0.590421 -1.485946 -0.701386
O -2.159986 -1.110619 -2.247312
C 2.202185 -1.159278 0.224860
C 1.001824 -0.339121 0.734357
C 2.884685 -0.381127 -0.881803
C 2.113657 0.899163 -1.130592
C 0.979502 0.917606 -0.122208
C -0.299996 -1.143857 0.696321
C -1.564707 -0.425899 1.254640
C 2.260027 -2.640766 0.376968
C 0.122382 1.945912 -0.021696
C -1.275156 0.926477 1.917859
C -1.021662 2.080016 0.944290
C -2.500396 -0.345582 0.074044
C -1.818303 -0.970975 -1.104535
C 0.252786 3.127881 -0.942925
C -3.731839 0.151889 0.032469
H 1.212488 -0.043219 1.796700
H 3.503961 -0.805395 -1.661403
H 1.720442 0.925661 -2.165837
H 2.768414 1.784492 -1.006123
H -0.168742 -2.137295 1.180136
H -2.025996 -1.092396 2.028983
H 1.523143 -3.132583 -0.278221
H 3.253798 -3.028652 0.103849
H 2.075322 -2.959594 1.410500
H -0.414044 0.821764 2.610079
H -2.139083 1.197194 2.560520
H -0.862240 3.007370 1.540074
H -1.948976 2.261843 0.354318
H -0.489457 3.910892 -0.749105
H 0.127934 2.825595 -1.993054
H 1.242031 3.598247 -0.851698
H -4.226850 0.593194 0.887576
H -4.333199 0.151996 -0.872311


%chk=000182276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182276

0 1
O 3.476184 -0.259601 0.358152
O -0.534273 -1.697513 -0.634881
O -1.975148 -1.190139 -2.391996
C 2.227109 -1.134111 0.246969
C 1.003414 -0.358170 0.770745
C 2.747461 -0.434681 -0.968043
C 1.876961 0.760866 -1.307224
C 0.910114 0.894562 -0.121386
C -0.284716 -1.207496 0.759833
C -1.587583 -0.447895 1.190852
C 2.431379 -2.599738 0.546274
C 0.079411 1.955535 0.082043
C -1.336138 0.834024 2.029257
C -0.928781 2.092749 1.220434
C -2.335025 -0.249636 -0.119417
C -1.659596 -1.043614 -1.197227
C 0.048383 3.145311 -0.864684
C -3.468104 0.454259 -0.363928
H 1.206593 -0.081980 1.824360
H 3.330845 -0.949906 -1.738540
H 1.329183 0.568032 -2.252356
H 2.493410 1.666631 -1.457541
H -0.135251 -2.117349 1.366994
H -2.178489 -1.145276 1.818596
H 1.651624 -3.211024 0.056994
H 3.415280 -2.924757 0.168659
H 2.405115 -2.797719 1.634300
H -0.579721 0.603100 2.802359
H -2.262254 1.078944 2.585656
H -0.564490 2.864876 1.932067
H -1.846970 2.528323 0.774118
H 0.047579 4.096563 -0.297105
H -0.880100 3.136882 -1.471398
H 0.901683 3.165070 -1.560688
H -3.991726 1.014674 0.418168
H -3.892863 0.466799 -1.374314


