%chk=000269356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269356

0 1
S 9.338738 -0.069592 1.118574
S -9.338703 0.069403 1.118716
F 9.848094 1.286885 0.479401
F -9.848068 -1.286911 0.479204
O 3.430191 -1.012288 -2.123257
O -3.430205 1.012913 -2.122918
O 9.558098 0.126459 2.521076
O 10.018473 -1.071307 0.354152
O -9.558053 -0.127002 2.521170
O -10.018442 1.071312 0.354552
N 3.533968 0.079668 -0.087211
N -3.533946 -0.079565 -0.087154
C 1.376795 -0.195378 -1.184261
C -1.376790 0.195756 -1.184178
C 4.934260 0.017010 0.157743
C -4.934233 -0.016967 0.157831
C 0.519990 -1.303660 -1.195148
C -0.863652 -1.107046 -1.191140
C 0.863657 1.107426 -1.190986
C -0.519985 1.304041 -1.194912
C 2.859417 -0.434125 -1.227944
C -2.859412 0.434521 -1.227764
C 7.668400 -0.033700 0.751399
C -7.668368 0.033599 0.751519
C 5.837270 -0.568302 -0.750242
C -5.837248 0.568576 -0.749999
C 5.403895 0.575181 1.371601
C -5.403860 -0.575443 1.371552
C 7.194945 -0.589315 -0.445635
C -7.194921 0.589515 -0.445377
C 6.764446 0.543198 1.655048
C -6.764409 -0.543529 1.655017
H 0.931419 -2.316037 -1.221757
H -1.535087 -1.967614 -1.215079
H 1.535092 1.967997 -1.214803
H -0.931416 2.316421 -1.221340
H 2.970223 0.528607 0.642538
H -2.970191 -0.528687 0.642476
H 5.478968 -1.006539 -1.690091
H -5.478950 1.007050 -1.689739
H 4.716102 1.025620 2.083637
H -4.716063 -1.026062 2.083470
H 7.897481 -1.053456 -1.151222
H -7.897461 1.053835 -1.150843
H 7.130417 0.968275 2.599279
H -7.130374 -0.968842 2.599144


%chk=000269356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269356

0 1
S 9.788301 0.048616 0.411759
S -9.788276 -0.048828 0.411917
F 10.159790 0.865860 -1.217738
F -10.159770 -0.865782 -1.217725
O 3.172199 -1.910246 -0.802126
O -3.172183 1.910626 -0.801739
O 10.294833 1.079971 1.536199
O 10.352780 -1.450855 0.291845
O -10.294712 -1.080430 1.536173
O -10.352847 1.450633 0.292311
N 3.745295 0.198286 0.058996
N -3.745264 -0.198097 0.058964
C 1.386167 -0.322828 -0.397392
C -1.386153 0.323133 -0.397329
C 5.156260 0.104881 0.119410
C -5.156236 -0.104764 0.119424
C 0.408540 -1.349568 -0.419367
C -0.962130 -1.032902 -0.414925
C 0.962143 1.033211 -0.414748
C -0.408528 1.349878 -0.419127
C 2.830173 -0.755259 -0.410145
C -2.830159 0.755559 -0.409991
C 7.933040 0.070646 0.291088
C -7.933018 -0.070726 0.291182
C 5.878209 -1.030976 -0.347805
C -5.878266 1.031155 -0.347522
C 5.854974 1.213909 0.679404
C -5.854875 -1.213954 0.679188
C 7.283651 -1.042799 -0.266502
C -7.283706 1.042879 -0.266179
C 7.256318 1.207745 0.766884
C -7.256217 -1.207891 0.766707
H 0.750543 -2.388438 -0.457631
H -1.685692 -1.855117 -0.473374
H 1.685701 1.855438 -0.473061
H -0.750531 2.388755 -0.457208
H 3.347237 1.059165 0.440962
H -3.347175 -1.059045 0.440742
H 5.334641 -1.880713 -0.762408
H -5.334761 1.881015 -0.761952
H 5.300657 2.086797 1.044257
H -5.300499 -2.086893 1.043832
H 7.855584 -1.906765 -0.618960
H -7.855699 1.906890 -0.618429
H 7.803640 2.050510 1.199293
H -7.803478 -2.050783 1.198944


