%chk=000279533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279533

0 1
S -8.397974 -0.901143 0.141770
F -8.680856 -0.862268 1.700043
O -1.622854 -0.623922 0.012541
O -9.342322 0.039742 -0.384779
O -8.436191 -2.299385 -0.165122
N 4.892342 -0.198838 -0.106268
N 7.043956 -0.458125 1.148741
N 6.979959 -0.475947 -1.298911
N 5.022412 -0.022236 -2.521771
N 9.038368 -0.537013 -0.113356
N -0.540902 1.415422 -0.264772
N -2.907165 1.305325 -0.200250
C 5.594771 -0.282210 1.277378
C 5.324371 1.023974 2.037858
C 5.012335 -1.501217 2.007157
C 3.505461 0.202538 -0.154913
C 5.659907 -0.244780 -1.282921
C 7.637527 -0.502201 -0.031506
C 2.503159 -0.761437 0.038502
C 3.161175 1.546152 -0.395918
C 0.817333 0.953370 -0.224246
C 1.159913 -0.388414 0.008187
C 1.822509 1.923567 -0.431253
C -1.674106 0.579592 -0.135845
C -4.199634 0.720377 -0.111668
C -6.805954 -0.286220 0.049422
C -5.304463 1.604095 -0.190537
C -4.407295 -0.663698 0.042855
C -6.593572 1.090754 -0.109716
C -5.706404 -1.154175 0.121026
H 5.876543 1.016862 2.989870
H 5.681505 1.899184 1.482981
H 4.264823 1.165956 2.266001
H 5.587079 -1.688349 2.927019
H 3.966918 -1.356589 2.291978
H 5.086975 -2.412111 1.402517
H 2.772910 -1.804886 0.215256
H 3.946281 2.287569 -0.559811
H 0.383477 -1.147382 0.164326
H 1.566494 2.964844 -0.618134
H 5.591872 -0.223650 -3.341576
H 4.060680 -0.320970 -2.616947
H -0.659521 2.420371 -0.402744
H 9.531603 -0.840322 0.715980
H 9.433959 -0.857565 -0.987042
H -2.884543 2.322073 -0.312879
H -5.158805 2.674677 -0.313965
H -3.556109 -1.354135 0.101454
H -7.451854 1.772587 -0.178345
H -5.867291 -2.235042 0.233434


%chk=000279533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279533

0 1
S -8.665375 -0.686749 -0.038336
F -8.948745 -0.600872 1.800589
O -1.669819 -0.817687 0.022563
O -9.618399 0.443985 -0.670833
O -8.790967 -2.241299 -0.427405
N 4.978172 -0.055301 -0.065248
N 7.193065 0.096245 1.045323
N 6.961690 -0.715223 -1.261029
N 4.898789 -0.744630 -2.341892
N 9.052561 -0.249836 -0.340648
N -0.578460 1.261824 -0.184204
N -2.911282 1.184637 -0.140409
C 5.759567 -0.125925 1.273294
C 5.246757 0.975119 2.220988
C 5.534549 -1.534256 1.892969
C 3.571487 0.248383 -0.094428
C 5.639409 -0.515128 -1.199199
C 7.685553 -0.284963 -0.127291
C 2.594486 -0.767519 0.072493
C 3.134311 1.582899 -0.299083
C 0.790285 0.865179 -0.149988
C 1.214941 -0.475587 0.046112
C 1.762298 1.888845 -0.323985
C -1.707282 0.439205 -0.090665
C -4.231850 0.686090 -0.107043
C -6.893535 -0.138670 -0.062191
C -5.285750 1.645330 -0.175497
C -4.541413 -0.702440 -0.017840
C -6.629156 1.240153 -0.148523
C -5.885881 -1.115510 0.010186
H 5.846245 0.925143 3.144681
H 5.400637 1.970709 1.771437
H 4.181114 0.844115 2.477419
H 6.133647 -1.618336 2.816106
H 4.471428 -1.699929 2.147614
H 5.870334 -2.319497 1.192227
H 2.921720 -1.801673 0.224220
H 3.881801 2.369964 -0.437837
H 0.471951 -1.264569 0.170404
H 1.443913 2.927949 -0.481680
H 5.417682 -1.012264 -3.174281
H 3.883665 -0.702058 -2.347874
H -0.722927 2.266769 -0.305778
H 9.665353 0.035157 0.417369
H 9.409225 -0.460465 -1.267533
H -2.838705 2.202951 -0.199167
H -5.052876 2.714615 -0.247542
H -3.731107 -1.430319 0.033516
H -7.443713 1.968175 -0.206197
H -6.140592 -2.177937 0.075220


