%chk=000245152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245152

0 1
S 4.715866 0.559933 -0.048621
F -2.095811 2.153656 2.237774
F -2.949600 -2.055376 -1.258466
O 2.410724 0.722958 -2.451540
O 3.342516 -2.028646 1.236057
N 1.854975 2.138131 -0.704342
N 1.855590 -1.373844 -0.429246
N 0.528048 1.784553 -0.798410
N 0.761234 -1.734188 0.315412
C 4.238515 1.764767 -1.337886
C 4.267500 -1.057162 -0.774857
C 4.620094 3.135223 -0.828348
C 5.469380 -1.972280 -0.691287
C 2.760180 1.500635 -1.581181
C 3.144108 -1.549668 0.146698
C -1.741375 1.901109 -0.086780
C -1.593494 -1.843478 0.670365
C -0.327454 2.293363 0.046408
C -0.428861 -1.438422 -0.135878
C -2.588137 1.844684 1.036461
C -2.834076 -2.130222 0.069849
C -2.300031 1.562795 -1.332408
C -1.518411 -1.954347 2.070069
C -3.931931 1.474482 0.958962
C -3.966495 -2.502175 0.796887
C -3.643433 1.193334 -1.433493
C -2.639431 -2.323731 2.818760
C -4.455663 1.146901 -0.295163
C -3.857482 -2.595353 2.187832
H 4.785268 1.546692 -2.293400
H 3.938945 -0.945599 -1.839043
H 4.276863 3.339202 0.195562
H 5.715430 3.262383 -0.815341
H 4.220147 3.928913 -1.477486
H 5.773050 -2.160137 0.353126
H 5.249150 -2.957416 -1.129557
H 6.339711 -1.564057 -1.221072
H 2.202294 2.719761 0.068744
H 1.741365 -0.898475 -1.347191
H -0.097469 2.990975 0.866407
H -0.652867 -0.897415 -1.070276
H -1.669992 1.587636 -2.226143
H -0.565153 -1.755346 2.569765
H -4.555039 1.433577 1.851651
H -4.907578 -2.721330 0.296411
H -4.058096 0.930690 -2.406665
H -2.559036 -2.404029 3.902023
H -5.501327 0.851001 -0.383091
H -4.725512 -2.884957 2.778949


%chk=000245152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245152

0 1
S 4.569538 0.639861 0.214153
F -2.064485 5.133415 0.728935
F -2.789974 -1.631785 -1.018317
O 2.028551 0.265429 -2.003885
O 3.664268 -2.578992 1.465650
N 1.609354 2.295377 -0.919038
N 2.099335 -1.808558 -0.120930
N 0.238926 2.076116 -0.858926
N 1.017572 -2.391322 0.507790
C 3.951655 1.603334 -1.333883
C 4.456482 -1.194870 -0.407339
C 4.416810 3.062083 -1.185518
C 5.830001 -1.861696 -0.271153
C 2.452166 1.338836 -1.469034
C 3.384420 -1.933587 0.422051
C -1.935743 2.890286 -0.199165
C -1.357472 -2.761054 0.598353
C -0.485068 3.040794 -0.327474
C -0.171953 -2.148502 -0.011038
C -2.720280 3.942075 0.335402
C -2.655370 -2.509405 0.092314
C -2.624180 1.703085 -0.584203
C -1.273657 -3.638270 1.720367
C -4.110288 3.868834 0.496584
C -3.826105 -3.068100 0.623563
C -4.018888 1.598448 -0.432776
C -2.429378 -4.215282 2.278627
C -4.764427 2.678269 0.105441
C -3.708289 -3.935266 1.733087
H 4.435312 1.131182 -2.204438
H 4.141716 -1.105533 -1.461570
H 4.098357 3.515669 -0.227279
H 5.518609 3.101839 -1.203424
H 4.037383 3.682332 -2.018698
H 6.119383 -1.934528 0.790059
H 5.786955 -2.891507 -0.672254
H 6.598397 -1.294212 -0.822138
H 2.021826 3.146003 -0.507825
H 1.966003 -1.191650 -0.952060
H -0.046973 3.986195 0.044240
H -0.323604 -1.499407 -0.891002
H -2.042475 0.872927 -0.993907
H -0.278363 -3.842989 2.126679
H -4.655480 4.718627 0.916580
H -4.795367 -2.831216 0.175360
H -4.521689 0.673178 -0.730021
H -2.339587 -4.885830 3.139470
H -5.849723 2.595758 0.223792
H -4.607001 -4.386690 2.165799


