%chk=000106713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106713

0 1
O 3.185150 0.557962 0.629231
O 1.973758 1.571726 -0.981381
C -1.605540 0.204607 0.139468
C 0.573142 -1.260037 0.081937
C 0.877249 0.143732 0.724215
C -0.399185 1.014054 0.710989
C -1.771800 -1.056201 1.043453
C -0.500878 -1.925090 0.994695
C -2.897739 1.066490 0.142175
C -1.190575 -0.280425 -1.239132
C -0.074851 -1.021176 -1.270677
C 1.828779 -2.121626 -0.004100
C 1.993188 0.847396 -0.016404
C -2.733433 2.349486 -0.682729
C -4.111346 0.277191 -0.367315
C 4.389837 1.146164 0.076625
H 1.208043 -0.025309 1.779298
H -0.627189 1.368956 1.729247
H -0.245357 1.919754 0.088599
H -2.643901 -1.643645 0.703823
H -1.990505 -0.747666 2.079256
H -0.095678 -2.081725 2.008106
H -0.739385 -2.928994 0.600976
H -3.100202 1.362133 1.203100
H -1.785434 -0.005980 -2.096845
H 0.378501 -1.441951 -2.153925
H 2.581813 -1.679170 -0.668652
H 2.307964 -2.243565 0.974561
H 1.602920 -3.121892 -0.389818
H -2.511758 2.132096 -1.734054
H -3.646385 2.953909 -0.660013
H -1.916535 2.975444 -0.305595
H -3.978863 -0.044945 -1.406239
H -5.021014 0.886241 -0.329067
H -4.292470 -0.621594 0.232560
H 4.329572 2.236309 0.151649
H 4.506434 0.839476 -0.967451
H 5.176874 0.734565 0.715934


%chk=000106713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106713

0 1
O 3.250860 0.568483 0.774275
O 2.075156 1.539985 -0.983139
C -1.636180 0.199399 0.117469
C 0.588124 -1.272775 0.029542
C 0.882785 0.147855 0.696884
C -0.397704 1.033227 0.613496
C -1.741853 -1.031290 1.093099
C -0.468851 -1.924589 0.988571
C -2.942055 1.061564 0.140604
C -1.256317 -0.327318 -1.259440
C -0.106606 -1.051484 -1.306299
C 1.846209 -2.152174 -0.084197
C 2.075586 0.834090 0.051592
C -2.813582 2.376593 -0.671547
C -4.189959 0.279284 -0.343393
C 4.490974 1.153114 0.210528
H 1.160505 -0.059710 1.746548
H -0.624177 1.475933 1.603450
H -0.212385 1.856466 -0.095942
H -2.638855 -1.626745 0.852497
H -1.873688 -0.646101 2.124046
H -0.007102 -2.079206 1.983832
H -0.725263 -2.922768 0.589038
H -3.115306 1.341889 1.203233
H -1.852248 -0.093033 -2.148937
H 0.317614 -1.463895 -2.228935
H 2.565133 -1.741603 -0.816776
H 2.369394 -2.237970 0.885274
H 1.568940 -3.169403 -0.418897
H -2.568619 2.172945 -1.731065
H -3.769700 2.931929 -0.651014
H -2.032549 3.044702 -0.269353
H -4.069512 -0.061532 -1.388837
H -5.083886 0.929123 -0.307191
H -4.400120 -0.608463 0.278388
H 4.409581 2.252379 0.165214
H 4.670804 0.765534 -0.806681
H 5.288051 0.842264 0.900562


