%chk=000220596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220596

0 1
S 0.354891 -0.955657 -0.508475
O -0.444974 -0.261518 -1.505220
O 0.665701 -2.358806 -0.716378
N -0.396170 -0.861560 1.036514
C -0.803143 0.479387 1.526758
C -1.262951 -2.004229 1.427060
C -1.909213 1.172934 0.715110
C -2.696705 -2.011514 0.872992
C -2.200678 2.574840 1.260329
C -2.780977 -2.382443 -0.612388
C 1.819346 -0.057638 -0.267083
C -3.303848 3.266917 0.462731
C -4.216064 -2.686279 -1.036925
C 2.872972 -0.621540 0.456921
C 1.947991 1.220430 -0.819778
C 4.057056 0.100521 0.640986
C 3.130293 1.943074 -0.637198
C 4.183412 1.381899 0.094531
H 0.111082 1.117706 1.551307
H -1.127527 0.376904 2.588242
H -1.306152 -2.019178 2.541179
H -0.735517 -2.944701 1.126201
H -1.633606 1.227747 -0.361681
H -2.833103 0.552129 0.732391
H -3.295421 -2.729352 1.468181
H -3.174522 -1.019234 1.032961
H -1.280308 3.190896 1.231850
H -2.494384 2.515005 2.326794
H -2.132648 -3.256082 -0.827718
H -2.379690 -1.553174 -1.236492
H -3.036331 3.360113 -0.596970
H -4.246583 2.709646 0.509234
H -3.497768 4.275410 0.843670
H -4.626626 -3.546505 -0.497508
H -4.879665 -1.833256 -0.858298
H -4.263868 -2.917590 -2.107870
H 2.779023 -1.628976 0.874885
H 1.125345 1.651519 -1.403080
H 4.879347 -0.337331 1.204488
H 3.233208 2.937640 -1.068017
H 5.106875 1.944646 0.236063


%chk=000220596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220596

0 1
S 0.419844 -0.936256 -0.658158
O -0.321143 -0.091248 -1.853014
O 0.775379 -2.513657 -0.870188
N -0.423222 -0.853458 0.992628
C -0.881186 0.501777 1.383332
C -1.157679 -2.084732 1.375518
C -2.079580 1.151476 0.640488
C -2.643009 -2.242187 0.967854
C -2.335310 2.586959 1.156638
C -2.893361 -2.291465 -0.556520
C 2.014107 0.006958 -0.266264
C -3.526377 3.265604 0.446097
C -4.381271 -2.520432 -0.898082
C 2.955184 -0.603985 0.578601
C 2.207906 1.249766 -0.888110
C 4.159656 0.093002 0.828335
C 3.419960 1.931894 -0.626053
C 4.387327 1.356582 0.230555
H -0.007508 1.181225 1.303368
H -1.110493 0.422230 2.466368
H -1.068624 -2.136439 2.480621
H -0.572923 -2.929375 0.962781
H -1.864714 1.174383 -0.443997
H -2.994307 0.545836 0.777427
H -2.992481 -3.195415 1.418774
H -3.258058 -1.444335 1.429431
H -1.420915 3.198137 1.008704
H -2.521416 2.563796 2.250783
H -2.276963 -3.099289 -0.998357
H -2.546971 -1.353454 -1.032165
H -3.353320 3.324332 -0.644533
H -4.460707 2.695276 0.605782
H -3.689064 4.292942 0.820579
H -4.747969 -3.475183 -0.474803
H -5.013846 -1.708407 -0.490384
H -4.538690 -2.552846 -1.991446
H 2.757282 -1.587383 1.016006
H 1.443623 1.648447 -1.563394
H 4.917415 -0.351184 1.482145
H 3.607100 2.904018 -1.093981
H 5.324423 1.888891 0.426932


