%chk=000180786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180786

0 1
S -1.963376 -1.108729 -1.395835
F 2.483447 -2.038580 1.096453
F 1.102920 -0.936815 2.230375
F 1.340969 1.226751 0.335219
F 2.946478 0.775254 1.607300
F 0.210508 -2.873624 0.230687
F 0.807249 -1.517010 -1.260436
F 2.492200 -0.158017 -1.773823
F 3.595729 1.467942 -1.034327
F -1.646659 -1.156560 1.209944
F -0.765786 0.513034 0.264044
F 4.091118 -1.979685 -0.423145
F 5.041709 -0.776806 -1.860679
F 6.577601 -1.328390 0.317073
F 5.175913 -0.530441 1.663805
F 6.630908 1.377436 -0.973424
F 7.489956 1.084924 0.941699
F 5.609231 2.041496 0.765650
O -1.107695 -0.751566 -2.491033
O -2.560955 -2.395982 -1.297623
O -3.738405 -0.364606 0.746947
N -5.043653 1.210571 -0.351971
N -3.165291 0.123281 -1.391881
C -6.036880 1.332930 0.762681
C -6.443216 2.812263 0.902579
C -7.254782 0.421390 0.514843
C -7.359434 3.296468 -0.227716
C -8.154132 0.921683 -0.620506
C -8.577334 2.379434 -0.398524
C 1.561965 -1.058242 0.965970
C 2.275877 0.273033 0.547938
C 0.407388 -1.551255 0.032384
C 3.224008 0.212729 -0.698556
C -0.951078 -0.815492 0.112946
C 4.492760 -0.704248 -0.626588
C 5.626575 -0.368925 0.401273
C -4.015658 0.283928 -0.251378
C 6.328820 1.024656 0.279893
H -5.520150 0.998616 1.706929
H -5.539591 3.450573 0.958193
H -6.958906 2.937046 1.876513
H -7.840939 0.357182 1.453710
H -6.916867 -0.613190 0.307038
H -6.795955 3.357510 -1.177530
H -7.695264 4.330015 -0.013859
H -9.051595 0.276868 -0.694124
H -7.634358 0.820665 -1.591615
H -9.225467 2.447914 0.497000
H -9.195803 2.726990 -1.247328
H -5.317288 1.608715 -1.245272
H -3.239910 0.761668 -2.193614


%chk=000180786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180786

0 1
S -2.458655 -2.111318 -0.918167
F 2.839540 -2.444696 0.023868
F 1.511477 -2.527947 1.874470
F 1.228550 0.203284 1.913683
F 3.350988 -0.628005 2.079778
F 0.283611 -3.308321 -0.389830
F 0.805579 -1.366823 -1.492856
F 1.676033 1.105399 -0.625232
F 3.124863 1.853747 0.970621
F -1.133660 -1.652702 1.565883
F -0.890529 0.067156 0.072958
F 3.621717 -0.524112 -1.723526
F 4.092960 1.701547 -1.575015
F 6.245284 0.065195 -1.461603
F 5.414066 -1.115464 0.307962
F 6.084220 2.471466 0.212285
F 7.509169 0.797860 0.770849
F 5.606491 1.097216 1.958204
O -1.934913 -2.480086 -2.405363
O -3.220400 -3.179930 0.008320
O -3.685518 -0.130109 1.043999
N -4.956458 1.029724 -0.551963
N -3.429471 -0.623680 -1.225925
C -5.611457 1.930009 0.436114
C -6.025428 3.249021 -0.261124
C -6.831305 1.244359 1.108929
C -7.213643 3.060490 -1.238449
C -8.012205 1.053558 0.128769
C -8.419188 2.392520 -0.533817
C 1.776980 -1.796244 0.694148
C 2.290955 -0.383004 1.178323
C 0.495035 -1.915229 -0.230205
C 2.782769 0.733387 0.171075
C -0.853800 -1.311117 0.258080
C 3.987289 0.504178 -0.826780
C 5.438122 0.156036 -0.304464
C -4.030568 0.094327 -0.150537
C 6.161140 1.155107 0.676462
H -4.848993 2.133931 1.209510
H -5.152738 3.691862 -0.778303
H -6.327994 3.962947 0.529585
H -7.154728 1.885487 1.954041
H -6.510219 0.279542 1.541438
H -6.909283 2.439079 -2.109594
H -7.505591 4.041948 -1.657554
H -8.874535 0.615501 0.665668
H -7.730310 0.321781 -0.656522
H -8.806180 3.080331 0.246191
H -9.242449 2.231022 -1.255617
H -5.284954 1.054098 -1.518303
H -3.474760 -0.379528 -2.222162


