%chk=000270819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270819

0 1
S -4.113260 -1.927306 -0.461560
F -2.474133 -2.856471 -0.598829
O -0.807381 3.603699 2.402578
O -4.813118 -2.431588 0.900354
O -4.806687 -2.073609 -1.911165
N 2.039437 -1.152085 -0.070084
N 3.534726 -3.118795 0.110366
N 1.096373 -3.346676 0.241204
N -0.320122 -1.529849 -0.062073
N 2.468336 -5.206622 -0.015821
N -1.040359 3.215672 0.094343
C 3.382664 -1.703066 0.479340
C 1.907838 0.184889 -0.574370
C 4.550753 -0.933476 -0.158867
C 3.397278 -1.554302 2.028606
C 0.955372 -2.030930 0.047045
C 2.048822 1.310047 0.286622
C 2.005029 2.639223 -0.204123
C 2.079995 3.823616 0.767025
C 1.690295 0.406960 -1.962982
C 2.414761 -3.834606 0.125060
C 1.818434 2.839652 -1.603213
C 0.764574 4.687929 0.834755
C 1.648791 1.728788 -2.470260
C -0.437329 3.812631 1.211272
C -1.902328 2.108131 0.036357
C -2.223471 1.615656 -1.266683
C -2.383351 1.432420 1.197346
C -3.340501 -0.253980 -0.253545
C -2.945713 0.422500 -1.424890
C -3.097097 0.225891 1.048601
H 5.483869 -1.402739 0.194850
H 4.512253 -1.032431 -1.258245
H 4.559423 0.136764 0.117675
H 4.311363 -2.031679 2.425432
H 3.394765 -0.488419 2.335807
H 2.519249 -2.064700 2.468517
H 2.193498 1.134682 1.359918
H 2.912685 4.500776 0.502494
H 2.285864 3.445584 1.783251
H 1.595813 -0.458928 -2.626824
H 1.826996 3.858774 -2.015968
H 0.875757 5.457757 1.613292
H 0.592890 5.197104 -0.131169
H 1.522436 1.892845 -3.547538
H -1.087609 -2.203305 -0.011448
H -0.514852 -0.531180 -0.094471
H 3.374440 -5.656053 -0.126055
H 1.596348 -5.714741 -0.141054
H -0.625740 3.485918 -0.803000
H -1.864554 2.147754 -2.156408
H -2.146323 1.831161 2.184007
H -3.168038 0.016976 -2.415930
H -3.429863 -0.338763 1.924660


%chk=000270819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270819

0 1
S -4.500933 -1.797186 -0.246921
F -2.962577 -2.881752 -0.530725
O -0.600298 3.402046 2.375784
O -5.122547 -2.237113 1.168473
O -5.326888 -1.880448 -1.624360
N 2.125410 -1.144745 -0.116418
N 3.648351 -3.067592 0.250039
N 1.238294 -3.385013 -0.059925
N -0.184999 -1.593975 -0.509254
N 2.718974 -5.182395 -0.169012
N -1.023972 3.119979 0.080432
C 3.397436 -1.660565 0.606570
C 2.020712 0.190271 -0.630099
C 4.622941 -0.844194 0.154208
C 3.178347 -1.553296 2.141878
C 1.074991 -2.067994 -0.223648
C 2.121975 1.318722 0.228694
C 2.092449 2.639398 -0.279407
C 2.151536 3.829937 0.672309
C 1.850168 0.402373 -2.025469
C 2.577019 -3.821199 0.026495
C 1.945679 2.831149 -1.679614
C 0.798322 4.617205 0.761702
C 1.812325 1.716097 -2.540726
C -0.341677 3.686598 1.172771
C -1.928105 2.038699 0.072130
C -2.336192 1.547833 -1.204644
C -2.403214 1.413969 1.262560
C -3.562196 -0.204734 -0.109486
C -3.154586 0.412845 -1.306741
C -3.215808 0.268216 1.167888
H 5.512732 -1.319115 0.598282
H 4.727030 -0.885490 -0.943228
H 4.579292 0.208827 0.478203
H 4.047823 -1.995411 2.658541
H 3.071139 -0.502927 2.469739
H 2.276576 -2.116421 2.441281
H 2.216818 1.158234 1.308076
H 2.931347 4.546352 0.350804
H 2.419790 3.489427 1.688228
H 1.776427 -0.464090 -2.690725
H 1.960758 3.846296 -2.097532
H 0.889958 5.404018 1.529090
H 0.586296 5.106615 -0.207962
H 1.713016 1.869180 -3.621462
H -0.951516 -2.268855 -0.580310
H -0.393966 -0.599005 -0.476465
H 3.641488 -5.601684 -0.101348
H 1.895731 -5.731603 -0.397206
H -0.680575 3.407049 -0.840604
H -1.985994 2.041442 -2.118384
H -2.104267 1.812761 2.233263
H -3.459075 0.017031 -2.280042
H -3.562471 -0.248268 2.068478


