%chk=000187402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187402

0 1
O -2.243611 1.362716 0.315811
O -3.867245 -0.702008 0.396936
O -2.940225 1.244916 -1.860842
O -4.652186 -2.687287 -0.429476
C 2.071060 0.856465 0.149813
C 2.583406 -0.490153 0.005532
C 0.676450 1.089545 0.350288
C 1.704373 -1.606773 0.083911
C -0.249848 -0.049563 0.289957
C 0.260984 -1.374936 0.230962
C 2.976386 1.948571 0.128299
C 3.973938 -0.700598 -0.185684
C -1.656763 0.093913 0.281387
C 0.254783 2.393744 0.623850
C 2.238054 -2.896538 -0.011704
C 4.386584 1.703412 -0.106532
C 4.861572 0.443853 -0.258593
C -0.619561 -2.477182 0.270369
C 2.501910 3.258628 0.351799
C 4.476484 -2.014592 -0.290783
C 1.157105 3.468924 0.616397
C 3.613189 -3.097794 -0.198599
C -2.514232 -1.021130 0.321231
C -1.997387 -2.320534 0.330939
C -2.887803 1.854976 -0.829711
C -4.872191 -1.570417 -0.050105
C -3.416275 3.200588 -0.476343
C -6.154859 -0.829055 0.074323
H -0.791166 2.598075 0.867659
H 1.581855 -3.766800 0.053674
H 5.048600 2.567996 -0.152875
H 5.920052 0.253490 -0.434176
H -0.207688 -3.491106 0.245946
H 3.197486 4.095857 0.328783
H 5.543121 -2.173314 -0.440794
H 0.790699 4.473688 0.822981
H 3.999785 -4.113916 -0.273423
H -2.664946 -3.186039 0.356798
H -3.440850 3.373576 0.612242
H -4.437741 3.333560 -0.865529
H -2.790834 3.991625 -0.922266
H -6.066092 0.069425 0.707402
H -6.940247 -1.472910 0.501816
H -6.505323 -0.497398 -0.918270


%chk=000187402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187402

0 1
O -2.241737 1.410652 0.322290
O -3.882036 -0.685572 0.498098
O -3.377545 1.095424 -1.716081
O -4.690806 -2.540936 -0.713923
C 2.150711 0.851759 0.118553
C 2.653267 -0.499768 0.009667
C 0.738051 1.116906 0.281031
C 1.753641 -1.618096 0.088062
C -0.208862 -0.022564 0.274530
C 0.306094 -1.372296 0.224478
C 3.090519 1.950213 0.083502
C 4.071057 -0.730410 -0.153506
C -1.636041 0.120261 0.300890
C 0.337902 2.468006 0.476635
C 2.294416 -2.928110 0.003144
C 4.500438 1.685430 -0.099067
C 4.974005 0.395836 -0.216984
C -0.598799 -2.469292 0.289358
C 2.630003 3.284582 0.242625
C 4.564520 -2.059951 -0.239503
C 1.266847 3.532015 0.456545
C 3.679566 -3.147190 -0.159468
C -2.501782 -0.991455 0.367003
C -1.983173 -2.303039 0.376702
C -3.143745 1.791902 -0.715635
C -4.900049 -1.470800 -0.118159
C -3.724862 3.145073 -0.379883
C -6.226879 -0.776471 0.073353
H -0.709367 2.690377 0.666245
H 1.642838 -3.803449 0.054382
H 5.186174 2.539860 -0.134968
H 6.044015 0.199648 -0.350991
H -0.215412 -3.490713 0.270748
H 3.352846 4.108064 0.212874
H 5.640881 -2.224215 -0.364570
H 0.910901 4.556302 0.611819
H 4.059298 -4.172393 -0.224101
H -2.652564 -3.161881 0.424683
H -4.335624 3.070880 0.537001
H -4.347031 3.499302 -1.214112
H -2.918904 3.871971 -0.179607
H -6.323319 -0.393644 1.102264
H -7.047080 -1.471457 -0.157733
H -6.281569 0.086740 -0.614789


