%chk=000244059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244059

0 1
S 4.846382 -0.360881 -0.031739
F -2.607759 -3.210347 2.038556
F -0.664080 1.170018 -4.455685
O 2.216457 -1.112975 -1.632302
O 1.330045 2.014016 1.951933
N 1.788203 -2.333359 0.297976
N 1.769460 1.405950 -0.249311
N 0.643670 -1.621222 0.582225
N 0.456735 1.592649 -0.632082
C 4.883305 -2.181005 0.060872
C 4.083552 0.149021 1.547762
C 3.871721 -2.723131 -0.935620
C 3.617226 1.583004 1.368676
C 2.560764 -1.956531 -0.837794
C 2.118585 1.684779 1.089138
C -1.314441 -1.237176 1.903729
C -1.329386 1.274804 -2.187360
C -0.111787 -2.020859 1.567122
C 0.046233 1.013418 -1.728082
C -2.542909 -1.880665 2.148106
C -1.639871 1.332663 -3.559314
C -1.281833 0.161069 2.019374
C -2.386903 1.464397 -1.282022
C -3.704886 -1.195258 2.500861
C -2.930433 1.561202 -4.040414
C -2.434499 0.868139 2.379903
C -3.687817 1.692645 -1.740240
C -3.636977 0.198068 2.618677
C -3.959825 1.740418 -3.111015
H 4.695021 -2.537238 1.088069
H 5.910701 -2.508362 -0.201709
H 4.836417 0.077376 2.356434
H 3.249206 -0.522867 1.824460
H 4.250815 -2.600532 -1.979639
H 3.730710 -3.815297 -0.813904
H 3.809460 2.158423 2.306273
H 4.198281 2.132173 0.595176
H 2.063610 -3.145428 0.861615
H 2.409027 0.838980 -0.841570
H 0.052343 -2.908752 2.198229
H 0.640787 0.319134 -2.352818
H -0.347268 0.712383 1.826646
H -2.178825 1.432413 -0.208194
H -4.639005 -1.724701 2.679013
H -3.131863 1.600841 -5.109299
H -2.382195 1.953957 2.474837
H -4.493260 1.834620 -1.021732
H -4.528805 0.758451 2.898692
H -4.976186 1.918777 -3.460108


%chk=000244059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244059

0 1
S 5.920011 -0.708762 0.355798
F -1.713676 -5.342477 0.401994
F -2.672688 1.789271 1.193924
O 2.486595 0.014279 1.541349
O 2.745994 1.328801 -3.140536
N 1.924683 -2.248783 1.651909
N 1.666311 0.991295 -1.069731
N 0.622719 -2.022446 1.218691
N 0.585783 1.786722 -1.385377
C 5.261613 -0.566807 2.128808
C 4.801375 0.525842 -0.575199
C 4.134455 -1.554586 2.480843
C 3.768987 -0.184035 -1.481978
C 2.794465 -1.175423 1.846959
C 2.697044 0.787654 -2.005850
C -1.536781 -2.929724 0.633802
C -1.557789 2.693332 -0.772932
C -0.136641 -3.083528 1.034739
C -0.380870 1.864327 -0.490544
C -2.322172 -4.067260 0.322934
C -2.689881 2.669033 0.076220
C -2.180070 -1.660449 0.552444
C -1.632865 3.557058 -1.905466
C -3.668124 -3.998849 -0.060649
C -3.841484 3.441650 -0.128377
C -3.530234 -1.558531 0.171835
C -2.775719 4.343656 -2.143070
C -4.275543 -2.724717 -0.137434
C -3.880721 4.293972 -1.255408
H 4.930399 0.472717 2.284793
H 6.140188 -0.756683 2.767531
H 5.475442 1.166166 -1.166412
H 4.307712 1.136130 0.197260
H 4.427810 -2.583085 2.196914
H 3.990172 -1.552100 3.582976
H 4.272906 -0.621003 -2.359611
H 3.291684 -1.006476 -0.920918
H 2.254585 -3.203867 1.861206
H 1.749698 0.554447 -0.126143
H 0.232338 -4.116937 1.174259
H -0.350048 1.329403 0.474809
H -1.603649 -0.767177 0.806420
H -0.770109 3.583537 -2.578241
H -4.216067 -4.916637 -0.291261
H -4.675874 3.373973 0.575718
H -4.001721 -0.572479 0.122725
H -2.809427 5.001322 -3.017805
H -5.326282 -2.645644 -0.434346
H -4.766629 4.911080 -1.437171


