%chk=000186559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186559

0 1
O -2.675949 -2.109539 -0.965066
C -2.968430 -1.075597 0.010879
C -1.799337 -0.100193 -0.055412
C -4.318162 -0.456794 -0.413379
C -2.055938 1.284623 -0.056842
C -4.544630 0.880221 0.286132
C -3.445326 1.866356 -0.113504
C -0.459745 -0.557384 -0.057858
C 0.609681 0.384208 -0.027900
C -3.058295 -1.718134 1.400995
C 0.331022 1.777935 -0.016580
C -0.999352 2.206952 -0.037355
C 1.986044 -0.059176 -0.003972
C -0.099980 -1.968484 -0.089888
C 2.289031 -1.447960 -0.016810
C 3.047056 0.888845 0.034335
C 1.433889 2.725543 0.017209
C 1.186608 -2.389251 -0.068382
C 2.720298 2.304890 0.042127
C 3.628903 -1.867857 0.013126
C 4.376741 0.439829 0.063277
C 4.660219 -0.927991 0.053447
H -5.148199 -1.152956 -0.201505
H -4.310170 -0.317761 -1.514775
H -4.554319 0.742708 1.385390
H -5.537983 1.290103 0.021721
H -3.509015 2.769541 0.527814
H -3.624166 2.223984 -1.152292
H -3.175802 -0.954820 2.179610
H -3.899152 -2.411171 1.485536
H -2.144162 -2.277127 1.639243
H -1.215620 3.274201 -0.038831
H -0.917252 -2.696133 -0.163410
H -3.384923 -2.776545 -0.990296
H 1.183924 3.785936 0.021553
H 1.431692 -3.450551 -0.098131
H 3.548490 3.012677 0.067862
H 3.862973 -2.930846 0.003437
H 5.191527 1.160927 0.093036
H 5.696111 -1.263910 0.076361


%chk=000186559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186559

0 1
O -2.761299 -2.183523 -1.020957
C -2.999824 -1.102552 -0.012119
C -1.814502 -0.115155 -0.089072
C -4.350563 -0.439417 -0.384015
C -2.071652 1.289243 -0.081599
C -4.572445 0.904062 0.330063
C -3.479629 1.883156 -0.130040
C -0.449201 -0.577668 -0.073056
C 0.637558 0.378066 -0.035960
C -3.081466 -1.743084 1.401318
C 0.351232 1.790599 -0.026975
C -0.997690 2.206429 -0.051642
C 2.009991 -0.057484 -0.002053
C -0.086938 -1.986178 -0.091183
C 2.325194 -1.463386 -0.004952
C 3.083513 0.908376 0.037294
C 1.442178 2.741199 0.012380
C 1.230869 -2.403086 -0.054921
C 2.756819 2.318271 0.041947
C 3.684486 -1.877971 0.030192
C 4.429155 0.453301 0.072129
C 4.725019 -0.926834 0.068380
H -5.168060 -1.151693 -0.148444
H -4.358005 -0.276690 -1.479904
H -4.533244 0.769110 1.428083
H -5.574236 1.306417 0.090291
H -3.504760 2.810639 0.472492
H -3.695372 2.188694 -1.175606
H -3.287352 -0.979157 2.171686
H -3.895711 -2.492798 1.435121
H -2.134724 -2.241192 1.664020
H -1.219783 3.281498 -0.043864
H -0.888110 -2.719580 -0.189579
H -3.580004 -2.743754 -1.050996
H 1.200514 3.810634 0.017455
H 1.464295 -3.474441 -0.078616
H 3.577159 3.045142 0.070408
H 3.915966 -2.949564 0.025759
H 5.240709 1.189893 0.102562
H 5.768215 -1.260219 0.094874


