%chk=000185086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185086

0 1
S 2.008046 0.630223 0.668327
S 0.662517 0.272899 -2.526840
P 0.416598 0.278272 -0.612186
F -2.288716 -1.896077 1.068801
F -2.944464 -3.078239 -0.560882
F -2.864218 -0.974101 -0.746690
O 0.112125 -1.281605 -0.010735
C 3.434206 -0.330278 -0.071136
C 4.677624 0.375663 0.463761
C -0.888776 1.372388 0.048755
C 3.309858 -1.762961 0.396217
C 4.928942 1.718731 -0.213297
C -1.281110 1.241116 1.383872
C -1.470728 2.322425 -0.792519
C -0.726610 -2.148136 -0.767622
C -2.278861 2.083962 1.884715
C -2.466639 3.163295 -0.280782
C -2.868796 3.042784 1.053058
C -2.175085 -2.017024 -0.260424
H 3.393759 -0.262676 -1.186011
H 4.624966 0.507891 1.564758
H 5.556518 -0.287374 0.301515
H 4.121807 -2.383713 -0.008119
H 2.365903 -2.231455 0.075264
H 3.343692 -1.857458 1.490526
H 4.117255 2.434300 -0.024852
H 5.855024 2.177771 0.152150
H 5.020552 1.617951 -1.301849
H -0.835366 0.494665 2.048669
H -1.176003 2.428692 -1.842893
H -0.317362 -3.157534 -0.525338
H -0.661519 -2.001722 -1.871099
H -2.598802 1.990768 2.921354
H -2.930382 3.908516 -0.925337
H -3.647155 3.697044 1.446972


%chk=000185086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185086

0 1
S 2.113745 0.721350 0.963815
S 0.755499 0.218330 -2.459400
P 0.378188 0.295555 -0.416397
F -2.697254 -2.504944 0.849705
F -2.828753 -3.288525 -1.279170
F -2.846114 -1.047950 -0.878757
O -0.119972 -1.296667 0.264873
C 3.468166 -0.323706 0.059720
C 4.825773 0.383628 0.264731
C -0.940568 1.450732 0.171589
C 3.439975 -1.769662 0.579149
C 4.953300 1.742389 -0.453906
C -1.537581 1.233550 1.436377
C -1.332962 2.531202 -0.650448
C -0.741277 -2.277222 -0.613212
C -2.541280 2.121529 1.880560
C -2.338504 3.411789 -0.194531
C -2.939712 3.209698 1.069344
C -2.263530 -2.267560 -0.471767
H 3.176157 -0.277732 -1.008438
H 5.025386 0.498016 1.348938
H 5.600777 -0.313057 -0.117029
H 4.156471 -2.386354 0.002217
H 2.433761 -2.210364 0.478368
H 3.726900 -1.813523 1.645143
H 4.206513 2.463433 -0.077802
H 5.958330 2.174565 -0.298867
H 4.793982 1.630026 -1.542278
H -1.239237 0.378607 2.051060
H -0.869731 2.667480 -1.634066
H -0.375621 -3.268267 -0.298386
H -0.483624 -2.099676 -1.677648
H -3.014941 1.959157 2.854444
H -2.652173 4.249633 -0.826024
H -3.721290 3.893545 1.418195


