%chk=000106252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106252

0 1
S -1.072075 -1.299877 0.125271
P -5.883939 1.208027 -0.357788
F 1.882842 -2.933356 0.075711
F 2.766086 -1.560321 -1.243668
F 0.140652 -2.515559 -1.834714
F 0.412894 -0.430212 -1.868408
F 1.168382 -0.987472 1.850396
F 3.230786 -1.122111 1.472475
F 0.922391 1.265455 0.259999
F 2.237808 1.429050 1.891405
F 3.023095 1.068622 -1.536409
F 3.038329 2.784414 -0.326319
F 5.572941 2.015447 -0.520307
F 5.008305 1.355413 1.412177
F 5.168082 -0.035003 -0.184619
O -0.722743 -0.146052 0.918242
O -1.250418 -2.597583 0.700886
O -4.636364 0.676883 0.533122
O -5.503044 2.797764 -0.607992
O -5.512924 0.588655 -1.846896
O -7.239915 0.952808 0.128453
N -2.336045 -0.892706 -0.933081
C 1.768851 -1.648418 -0.336106
C 0.385983 -1.472910 -1.013649
C 2.080456 -0.716043 0.888719
C 2.131922 0.835334 0.680184
C -2.699875 0.541803 -1.026951
C 3.231310 1.445649 -0.256507
C -3.455903 -1.869910 -1.090114
C -3.306936 1.181211 0.228649
C 4.730324 1.192084 0.115089
C -4.125753 -2.295189 0.209311
H -1.785545 1.123916 -1.301863
H -3.390329 0.655288 -1.906769
H -4.210569 -1.416490 -1.779189
H -3.035525 -2.759776 -1.616681
H -3.325093 2.287629 0.147188
H -2.760366 0.904304 1.161297
H -3.489953 -2.967410 0.808128
H -4.390705 -1.441084 0.850595
H -5.058542 -2.837325 0.011424
H -6.188708 3.475150 -0.384824
H -6.255070 0.481404 -2.493666


%chk=000106252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106252

0 1
S -1.134577 -0.777270 1.125392
P -6.352563 0.861132 -1.777139
F 1.347600 -2.576181 -0.511354
F 2.280735 -0.921557 -1.778342
F -0.517695 -0.956959 -1.642082
F 0.358637 0.913110 -0.684638
F 1.967691 -1.258686 1.830384
F 3.715452 -1.774767 0.444865
F 2.165184 1.397782 1.258901
F 4.074126 0.401252 2.011545
F 3.196564 1.611279 -1.303969
F 4.447197 2.528074 0.371471
F 6.030519 1.590490 -1.581452
F 6.212877 0.228549 0.223084
F 5.058982 -0.452877 -1.611793
O -0.914819 0.545418 2.030176
O -0.939495 -2.285559 1.666225
O -5.613357 0.293651 -0.346803
O -6.789152 2.511380 -1.478657
O -4.946107 1.137911 -2.724086
O -7.500899 -0.073617 -2.322571
N -2.771189 -0.673197 0.375900
C 1.606600 -1.185530 -0.545550
C 0.232548 -0.475477 -0.547076
C 2.619614 -0.895998 0.628145
C 3.224825 0.541330 0.886944
C -3.142148 0.671727 -0.117593
C 4.050801 1.305958 -0.220885
C -3.283272 -1.921726 -0.262289
C -4.548373 1.086182 0.336652
C 5.356915 0.645017 -0.800125
C -4.390466 -2.580844 0.579611
H -2.440306 1.404650 0.326357
H -3.075008 0.731201 -1.220698
H -3.649640 -1.651203 -1.269943
H -2.446520 -2.633643 -0.389453
H -4.702056 2.163588 0.137647
H -4.698020 0.871577 1.406124
H -4.003481 -2.865632 1.572535
H -5.248915 -1.900669 0.697788
H -4.742375 -3.495223 0.066522
H -7.742519 2.648299 -1.243150
H -5.088816 1.588560 -3.594418


