%chk=000268557.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268557

0 1
S 1.768791 1.837086 0.014602
O 1.930609 2.558484 1.260331
O 1.913211 2.583432 -1.218477
C -4.553963 -0.002899 -0.361456
C -3.490349 1.024525 0.076504
C -4.307312 -1.336860 0.366958
C -2.091700 0.477985 0.029045
C -1.832352 -0.901724 0.012661
C -2.942292 -1.916111 -0.020582
C 0.278204 0.922280 0.016066
C 0.545930 -0.467978 -0.000321
C -1.014375 1.395871 0.030832
C -0.500065 -1.377456 -0.003016
C 1.997906 -0.764119 -0.013468
C -5.962810 0.524928 -0.079945
C 2.788282 0.411425 -0.007000
C 2.604359 -2.014530 -0.030351
C 4.165519 0.344594 -0.017223
C 4.010692 -2.081769 -0.040774
C 4.783555 -0.922785 -0.034381
H -4.449213 -0.171763 -1.462164
H -3.701333 1.366675 1.113150
H -3.573668 1.930623 -0.557641
H -5.106294 -2.061586 0.124779
H -4.357053 -1.184158 1.462344
H -2.994403 -2.344842 -1.045940
H -2.702394 -2.769585 0.647016
H -1.218112 2.469179 0.044302
H -0.305854 -2.447650 -0.016801
H -6.140492 1.481372 -0.584796
H -6.728806 -0.174486 -0.433477
H -6.136558 0.684151 0.990208
H 2.012928 -2.926820 -0.035424
H 4.777694 1.248995 -0.012261
H 4.496089 -3.058753 -0.054024
H 5.870529 -0.989229 -0.042577


%chk=000268557-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268557

0 1
S 1.839575 1.963063 0.021596
O 2.021527 2.768213 1.432416
O 2.008561 2.802235 -1.370965
C -4.621144 -0.017030 -0.354476
C -3.550006 1.020744 0.057890
C -4.343132 -1.348632 0.381113
C -2.122458 0.486926 0.019434
C -1.845130 -0.913318 0.002166
C -2.978200 -1.935068 -0.038714
C 0.258725 0.909445 0.016306
C 0.577303 -0.466083 0.000709
C -1.039222 1.409153 0.025368
C -0.502703 -1.372378 -0.005004
C 2.028714 -0.771047 -0.009239
C -6.042109 0.513159 -0.074500
C 2.873640 0.361809 -0.001756
C 2.647409 -2.043304 -0.027711
C 4.267647 0.313263 -0.010881
C 4.058341 -2.134087 -0.037718
C 4.867757 -0.971911 -0.029463
H -4.523061 -0.205540 -1.444989
H -3.773606 1.362302 1.091725
H -3.626093 1.921490 -0.581662
H -5.144577 -2.080192 0.163852
H -4.358829 -1.165999 1.475146
H -3.059598 -2.327638 -1.074139
H -2.717368 -2.803146 0.596916
H -1.232671 2.487297 0.036202
H -0.311172 -2.452222 -0.016332
H -6.223107 1.476683 -0.586714
H -6.810689 -0.202344 -0.420401
H -6.194545 0.674659 1.010203
H 2.039856 -2.954353 -0.034886
H 4.873815 1.224125 -0.004492
H 4.532813 -3.121030 -0.052541
H 5.958638 -1.062744 -0.037761


