%chk=000270634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270634

0 1
S -6.415297 -0.029989 0.063451
F -6.761793 0.020726 -1.483278
O 0.167473 1.622346 0.033135
O -7.030424 -1.252288 0.492339
O -6.835225 1.256517 0.533960
N -0.515182 -0.580157 0.023829
N 8.200639 -1.122661 -0.041018
C 2.909816 1.062863 0.012982
C 1.887918 -0.085942 0.010154
C 4.310320 0.519604 -0.001013
C 0.475663 0.452795 0.023589
C -1.921780 -0.396572 0.035233
C 4.978646 0.249131 1.203243
C 4.962763 0.270518 -1.218507
C -4.714780 -0.168411 0.050205
C -2.729192 -1.562061 0.031566
C -2.523674 0.878202 0.051838
C 6.274603 -0.260343 1.201297
C 6.258588 -0.238752 -1.242553
C 6.922660 -0.513834 -0.027266
C -4.112501 -1.435327 0.039624
C -3.909653 0.980996 0.060027
H 2.743423 1.714255 0.897542
H 2.731582 1.729086 -0.858127
H 2.056485 -0.727294 -0.881613
H 2.068056 -0.741890 0.888935
H 4.482023 0.442667 2.154162
H 4.453739 0.480745 -2.159266
H -0.195362 -1.553580 0.014764
H -2.279097 -2.551934 0.023726
H -1.904274 1.783982 0.059240
H 6.777802 -0.470775 2.141029
H 6.749400 -0.432485 -2.192368
H -4.738076 -2.337648 0.044395
H -4.375502 1.975294 0.080995
H 8.758264 -1.013144 0.793664
H 8.747348 -0.998239 -0.880815


%chk=000270634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270634

0 1
S -6.551147 -0.065217 -0.079738
F -6.723212 0.660295 -1.786901
O 0.183156 1.542454 1.000714
O -7.205545 -1.531867 -0.166999
O -7.093364 1.064254 0.926888
N -0.516451 -0.507371 0.092375
N 8.341262 -0.912222 -0.029467
C 2.852329 0.930726 -0.194882
C 1.897794 -0.120390 0.450339
C 4.301186 0.471580 -0.167064
C 0.463430 0.396903 0.546065
C -1.921547 -0.350958 0.071589
C 5.110442 0.673518 0.981255
C 4.884726 -0.205828 -1.267997
C -4.698481 -0.176326 -0.022294
C -2.694618 -1.442667 -0.421989
C -2.571360 0.834743 0.523307
C 6.442477 0.220754 1.036317
C 6.215813 -0.666928 -1.233089
C 7.019903 -0.461812 -0.074503
C -4.095243 -1.362095 -0.478510
C -3.974969 0.922792 0.470446
H 2.723059 1.878604 0.358258
H 2.526810 1.117984 -1.235732
H 1.960073 -1.076634 -0.104064
H 2.251651 -0.322840 1.479934
H 4.693576 1.206823 1.845614
H 4.290823 -0.367203 -2.177316
H -0.163002 -1.399710 -0.261620
H -2.197020 -2.357198 -0.765748
H -1.969927 1.662556 0.901689
H 7.045706 0.399818 1.935169
H 6.641407 -1.180052 -2.104549
H -4.699343 -2.194606 -0.851114
H -4.490992 1.823563 0.816930
H 8.918259 -0.752680 0.790792
H 8.757737 -1.386362 -0.825002


