%chk=000110052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000110052

0 1
S -2.421248 -0.160966 0.004651
F -0.409178 0.482659 1.614107
F -1.874848 1.989314 1.547822
F -0.035500 3.088521 0.072207
F -1.329187 2.182918 -1.317418
F 1.061304 1.630601 -2.180505
F 0.333210 -0.147663 -1.318491
F 2.647145 2.232173 -0.099090
F 1.748058 0.827247 1.182653
F 3.278098 -0.056508 -1.884153
F 2.615575 -1.299559 -0.316440
F 5.150093 1.167855 -0.318944
F 4.413751 0.292728 1.448426
F 5.013964 -2.251449 0.589285
F 5.497360 -1.588400 -1.351530
F 7.649664 -0.062466 -0.373317
F 7.731539 -2.057614 0.333434
F 7.118084 -0.501250 1.633698
O -1.431576 -1.141005 -0.343313
O -3.142401 0.748418 -0.879156
O -3.829153 -1.616140 -0.760741
O -4.975020 -3.339677 0.097401
N -6.951907 -0.184865 -1.315143
N -3.323220 -0.528989 1.454226
C -5.930133 0.478581 -0.391317
C -5.867788 -0.079917 1.027995
C -4.536687 0.283767 1.735990
C -1.230795 1.111447 0.755658
C -0.445911 1.868577 -0.340288
C 0.756054 1.086420 -0.979556
C 2.064010 1.013103 -0.116189
C 3.120698 -0.070010 -0.543118
C -6.947631 0.586529 -2.623192
C -6.588477 -1.615383 -1.610787
C -8.340329 -0.127771 -0.717501
C 4.538856 0.048924 0.126751
C -3.540530 -1.995122 1.530686
C 5.501345 -1.176143 -0.066269
C -4.155280 -2.430122 0.177707
C 6.986787 -0.946651 0.379927
H -6.112466 1.572859 -0.366142
H -4.903330 0.351746 -0.894941
H -6.011521 -1.181444 1.037477
H -6.698285 0.326779 1.638919
H -4.303447 1.355586 1.542784
H -4.705155 0.201358 2.839298
H -7.231862 1.641624 -2.479603
H -5.929749 0.578973 -3.071806
H -7.631926 0.140587 -3.363199
H -5.500321 -1.710135 -1.902805
H -6.642904 -2.276899 -0.716109
H -7.201701 -2.058518 -2.403201
H -8.624194 0.903653 -0.450320
H -9.098795 -0.522884 -1.415169
H -8.400079 -0.739781 0.202073
H -2.564071 -2.506697 1.698675
H -4.182990 -2.281519 2.383602


%chk=000110052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110052

0 1
S -2.835160 -1.261371 -1.409592
F -0.281618 -1.956439 -0.373636
F -1.126825 -0.037950 0.538574
F -0.424812 1.481671 -1.452644
F -0.493355 -0.225368 -2.979074
F 1.931688 0.833137 -2.727076
F 1.849152 -1.320173 -1.971552
F 2.176160 1.868165 -0.275722
F 1.576499 -0.078491 0.762257
F 4.331696 0.121495 -1.578220
F 3.801276 -1.343132 0.098408
F 4.954923 2.089619 0.103490
F 3.865402 1.126654 1.869622
F 5.666254 -0.793510 2.163654
F 6.536744 -0.524081 0.064152
F 7.655313 1.880493 0.717778
F 8.063025 0.385625 2.366906
F 6.503685 2.007221 2.675769
O -2.416531 -2.481146 -2.388562
O -3.307649 0.245063 -1.867716
O -5.180554 -1.965381 -1.706146
O -6.492842 -3.514669 -0.563934
N -7.201105 0.697040 -0.533037
N -3.357160 -1.919126 0.425559
C -5.733559 0.505875 -0.052215
C -5.523523 -0.495998 1.094064
C -4.006662 -0.857071 1.259211
C -0.942441 -0.755516 -0.664592
C -0.108214 0.115783 -1.660477
C 1.475652 0.008499 -1.668630
C 2.236343 0.458071 -0.366761
C 3.751633 0.012729 -0.296668
C -7.142747 1.647080 -1.726213
C -7.815072 -0.625748 -1.006500
C -8.057821 1.300738 0.565437
C 4.627364 0.855443 0.710931
C -4.167679 -3.125360 0.160213
C 5.965218 0.154142 1.164187
C -5.402482 -2.883597 -0.782427
C 7.062219 1.130577 1.735609
H -5.392822 1.515607 0.245893
H -5.165885 0.202856 -0.947388
H -6.102853 -1.423405 0.945325
H -5.848017 -0.059321 2.059617
H -3.387369 0.052565 1.174463
H -3.865064 -1.231600 2.293901
H -6.669434 2.591757 -1.415781
H -6.537227 1.173681 -2.513574
H -8.165049 1.834820 -2.090489
H -7.102672 -1.120051 -1.689798
H -7.980716 -1.292673 -0.149271
H -8.773554 -0.398242 -1.500551
H -7.631214 2.270337 0.867685
H -9.083111 1.441122 0.187838
H -8.074211 0.614501 1.424554
H -3.510978 -3.886046 -0.296017
H -4.546261 -3.509499 1.124860


