%chk=000219081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219081

0 1
S 3.288065 0.002510 -2.401040
F 6.018261 -3.154116 2.833116
F 4.024171 -3.218201 3.517708
F 4.713554 -4.674016 2.151405
O -9.111424 2.275650 -1.598500
O 0.505910 -1.562530 1.306177
N -3.188727 0.264824 0.431842
N -5.948651 0.909099 -0.199759
N 1.756835 -0.017220 0.190296
C -3.631884 0.493177 -0.983121
C -4.323881 -0.307456 1.228742
C -4.812461 1.484416 -0.993434
C -5.506733 0.682020 1.216068
C -1.988930 -0.628877 0.488590
C -7.147203 1.804202 -0.251086
C -0.736000 0.254908 0.325695
C -7.922535 1.475438 -1.540289
C 0.502727 -0.530268 0.667895
C 2.918344 -0.877271 0.171799
C 1.894755 1.282450 -0.421030
C 3.717052 -0.940157 -0.984100
C 2.577454 1.414606 -1.642941
C 3.250684 -1.659902 1.291899
C 1.381424 2.427786 0.211172
C 4.371646 -2.493772 1.228127
C 4.837471 -1.767027 -1.036983
C 2.709885 2.657854 -2.259583
C 5.163435 -2.554032 0.070872
C 1.505345 3.670362 -0.415285
C 2.155057 3.787336 -1.649199
C 4.758641 -3.354063 2.403149
H -3.929769 -0.447094 -1.497976
H -2.783006 0.927695 -1.551765
H -3.979532 -0.450409 2.275660
H -4.661241 -1.296989 0.848918
H -4.475424 2.472516 -0.609971
H -5.155567 1.635267 -2.039016
H -5.212983 1.621766 1.732826
H -6.355201 0.240013 1.780913
H -1.991630 -1.433418 -0.277462
H -1.941658 -1.145326 1.476183
H -7.800061 1.614501 0.627344
H -6.906301 2.888366 -0.221638
H -0.691022 0.673855 -0.700930
H -0.832483 1.140114 0.996895
H -7.376336 1.778817 -2.452078
H -8.182350 0.404723 -1.604888
H 2.610450 -1.623862 2.181391
H 0.900682 2.353776 1.186256
H -9.750477 1.995333 -0.916412
H 5.458927 -1.806038 -1.934401
H 3.243540 2.753482 -3.207353
H 6.035654 -3.209553 0.026783
H 1.097195 4.558579 0.069181
H 2.242405 4.761455 -2.128958


%chk=000219081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219081

0 1
S 3.001362 -0.332027 -2.564707
F 6.315478 -3.265239 2.630781
F 4.521827 -2.438659 3.756840
F 4.371993 -4.422434 2.673736
O -9.078670 2.577507 -1.616765
O 0.498363 -1.528747 1.477776
N -3.245934 0.190078 0.536740
N -5.969908 0.886911 -0.215500
N 1.743040 -0.036189 0.182967
C -3.542175 0.889828 -0.739977
C -4.403848 -0.655270 0.930717
C -4.818607 1.736463 -0.609248
C -5.674534 0.198275 1.065674
C -1.989574 -0.595385 0.497147
C -7.255509 1.622935 -0.204389
C -0.745253 0.319322 0.466760
C -7.837842 1.785228 -1.624881
C 0.522003 -0.483271 0.770188
C 2.902129 -0.900332 0.194484
C 1.878987 1.224697 -0.509893
C 3.596628 -1.124360 -1.021407
C 2.450105 1.247588 -1.806992
C 3.349322 -1.526632 1.377481
C 1.514101 2.446893 0.104665
C 4.463250 -2.391064 1.327229
C 4.723234 -1.974492 -1.060710
C 2.599636 2.462499 -2.508437
C 5.151508 -2.623427 0.112551
C 1.640060 3.661668 -0.602033
C 2.173560 3.670291 -1.912341
C 4.905875 -3.105173 2.570416
H -3.675399 0.160930 -1.579743
H -2.698548 1.556096 -0.996002
H -4.176344 -1.133028 1.901635
H -4.593917 -1.463584 0.180352
H -4.640112 2.546040 0.143660
H -5.033081 2.217060 -1.580629
H -5.529462 0.926665 1.903137
H -6.527724 -0.456933 1.322359
H -1.958553 -1.298534 -0.373476
H -1.935167 -1.213720 1.409764
H -7.976019 1.043080 0.407487
H -7.170772 2.633641 0.265984
H -0.645963 0.847943 -0.496222
H -0.891306 1.092735 1.246280
H -7.156967 2.361411 -2.272260
H -7.989814 0.784534 -2.078340
H 2.819549 -1.354097 2.315011
H 1.134154 2.439005 1.131040
H -9.772158 2.083883 -1.110128
H 5.260556 -2.124297 -2.001807
H 3.052471 2.463398 -3.505165
H 6.021289 -3.286310 0.089261
H 1.338653 4.599296 -0.124113
H 2.280126 4.612601 -2.459253


