%chk=000270638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270638

0 1
S -6.675914 -2.077038 0.159212
F -7.626105 -1.392934 1.227943
O -2.492521 3.024844 -1.471689
O -7.423796 -1.972071 -1.058099
O -6.353623 -3.333954 0.768434
N 4.152243 -0.089082 -0.029672
N 4.984900 -2.429293 0.307344
N 6.352254 -0.491726 0.905132
N 5.567786 1.718866 0.763299
N 6.951561 -2.688145 1.592322
N -1.964549 1.518991 0.198046
C 3.980113 -1.599738 -0.364957
C 3.008274 0.783622 -0.085863
C 2.595170 -2.054927 0.106747
C 4.153503 -1.734298 -1.886477
C 5.370715 0.340470 0.541979
C 2.574895 1.473306 1.062082
C 2.319550 0.939816 -1.303351
C 0.774662 2.470379 -0.224888
C 6.045337 -1.889392 0.882707
C 1.465272 2.314107 0.986045
C 1.208971 1.778407 -1.366917
C -0.417045 3.376943 -0.308462
C -1.715815 2.654150 -0.620147
C -3.109693 0.680742 0.144257
C -3.144801 -0.426440 1.027895
C -4.184777 0.918250 -0.735210
C -5.325683 -1.031395 0.154760
C -4.249969 -1.268613 1.023281
C -5.280327 0.062095 -0.722824
H 2.518381 -3.150645 0.016340
H 2.431264 -1.826494 1.167115
H 1.781186 -1.615536 -0.475025
H 4.079738 -2.792344 -2.176874
H 3.392729 -1.175870 -2.443529
H 5.138929 -1.385299 -2.216701
H 3.108810 1.353244 2.007443
H 2.656604 0.398726 -2.192996
H 1.142141 2.852099 1.877462
H 0.677432 1.899086 -2.312583
H -0.548153 3.975502 0.620516
H -0.252595 4.144354 -1.105391
H 6.512777 1.982074 1.037319
H 5.139499 2.366026 0.114381
H 6.950956 -3.676862 1.378949
H 7.860655 -2.288950 1.783914
H -1.234563 1.243015 0.866041
H -2.318232 -0.625056 1.706726
H -4.159531 1.769841 -1.426750
H -4.275377 -2.131184 1.702371
H -6.113835 0.244633 -1.414356


%chk=000270638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270638

0 1
S -6.506721 -2.235269 0.504903
F -6.756675 -1.999824 2.335516
O -2.866597 3.636952 -0.723099
O -7.845271 -1.680345 -0.190125
O -6.007650 -3.753658 0.328985
N 4.010755 -0.146432 0.051153
N 4.610086 -2.479696 0.644988
N 6.131745 -0.610777 1.101475
N 5.527495 1.592973 0.651811
N 6.488678 -2.720888 2.031113
N -1.860310 1.573448 -0.221816
C 3.903366 -1.644907 -0.341493
C 2.938220 0.786995 -0.128992
C 2.425291 -2.080260 -0.336882
C 4.551127 -1.842179 -1.739717
C 5.232816 0.244651 0.608112
C 2.395810 1.471263 0.994722
C 2.383860 1.042416 -1.412369
C 0.757720 2.624203 -0.443313
C 5.685608 -1.949146 1.212889
C 1.329514 2.379173 0.834972
C 1.305956 1.940052 -1.561031
C -0.421512 3.565991 -0.606982
C -1.833799 2.936578 -0.528052
C -2.981513 0.727165 -0.064390
C -2.726621 -0.640396 0.247161
C -4.321870 1.189565 -0.207436
C -5.095655 -1.048083 0.278026
C -3.787445 -1.542700 0.427112
C -5.390398 0.290926 -0.028673
H 2.406776 -3.170367 -0.496734
H 1.971079 -1.874534 0.647658
H 1.832470 -1.593477 -1.129351
H 4.552191 -2.918543 -1.983699
H 3.998832 -1.303209 -2.531502
H 5.598191 -1.490975 -1.729826
H 2.815146 1.277138 1.987436
H 2.808247 0.546310 -2.290384
H 0.929186 2.898753 1.714160
H 0.894530 2.124243 -2.560987
H -0.407191 4.359474 0.163248
H -0.386134 4.087629 -1.580835
H 6.400957 1.854341 1.102824
H 4.975979 2.284067 0.150650
H 6.265185 -3.702827 2.164028
H 7.268069 -2.281176 2.510953
H -0.938801 1.139510 -0.098063
H -1.695039 -0.996280 0.353010
H -4.504145 2.237687 -0.449632
H -3.605588 -2.595334 0.663297
H -6.426550 0.626077 -0.137518


