%chk=000180836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180836

0 1
S 5.021356 -0.050622 -1.095062
F 5.630098 -0.950305 1.281702
F 4.964686 1.048251 1.277271
F 7.799043 0.657849 1.761413
F 7.959792 -0.088120 -0.204448
F -5.325025 -1.253744 2.213774
F -5.818311 1.492500 -1.554071
O 5.340116 1.190945 -1.764245
O 5.528816 -1.308806 -1.575667
O -1.465072 1.713424 -0.151190
O -3.982257 1.746411 1.323029
N -0.818306 -0.527600 -0.129969
N -3.111725 0.061980 -0.008684
C 3.338718 -0.166949 -0.801213
C 5.756164 0.197268 0.585025
C 1.396128 -1.553149 -0.309202
C 2.764613 -1.419475 -0.541582
C 0.580626 -0.382165 -0.348589
C 2.529653 0.973011 -0.844883
C 1.159943 0.871114 -0.617329
C 7.197454 0.737012 0.551548
C 0.828417 -2.907106 -0.029252
C -1.756792 0.546519 -0.090697
C -5.500688 0.160270 0.350759
C -4.170658 0.785854 0.629115
C -6.056115 -0.814074 1.194367
C -6.303989 0.580020 -0.720799
C -7.329702 -1.352777 1.001439
C -7.584346 0.071072 -0.955585
C -8.090693 -0.894886 -0.080366
H 3.401340 -2.314179 -0.529443
H 2.967037 1.955360 -1.065166
H 0.541688 1.778591 -0.643125
H 7.273865 1.783440 0.159884
H 1.605835 -3.687701 -0.021542
H 0.346389 -2.953224 0.958083
H 0.101518 -3.213119 -0.794803
H -1.147633 -1.473071 0.085905
H -3.346328 -0.816936 -0.479158
H -7.729334 -2.106033 1.682042
H -8.180855 0.425332 -1.798096
H -9.093666 -1.298586 -0.243290


%chk=000180836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180836

0 1
S 5.158983 -0.387526 -1.049804
F 6.087947 -0.938436 1.586379
F 5.059828 1.088699 1.348043
F 7.824313 1.442736 1.735590
F 8.253894 -0.060459 0.046330
F -4.622089 -1.987913 0.585203
F -6.652959 2.306914 -0.459125
O 5.576198 0.864994 -2.016352
O 5.608377 -1.925264 -1.326253
O -1.475056 1.858946 -0.500004
O -4.141040 2.111153 0.673370
N -0.832974 -0.384213 -0.116091
N -3.097937 0.165819 -0.136257
C 3.312982 -0.343196 -0.735294
C 5.986013 0.192216 0.778619
C 1.299511 -1.552880 -0.129386
C 2.693493 -1.539798 -0.338282
C 0.566548 -0.334355 -0.331497
C 2.618886 0.856568 -0.947493
C 1.226861 0.858192 -0.739504
C 7.322902 0.902126 0.514066
C 0.602977 -2.834437 0.292315
C -1.763470 0.665374 -0.263484
C -5.550354 0.217497 0.108726
C -4.219898 0.938042 0.245977
C -5.756757 -1.167338 0.323303
C -6.738473 0.945686 -0.176618
C -7.001517 -1.807649 0.300292
C -8.015436 0.360053 -0.221025
C -8.143834 -1.022784 0.027007
H 3.284671 -2.453861 -0.218589
H 3.140313 1.759198 -1.279872
H 0.646398 1.771644 -0.876268
H 7.222872 1.709467 -0.230142
H 1.328721 -3.656172 0.397109
H 0.094920 -2.730666 1.272495
H -0.150109 -3.162516 -0.451856
H -1.192972 -1.269275 0.247672
H -3.263837 -0.827159 -0.323086
H -7.065353 -2.881664 0.490954
H -8.880201 0.987425 -0.451202
H -9.131538 -1.491592 0.001935


