%chk=000259514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259514

0 1
S 0.085079 0.531205 0.405341
O -6.369922 -0.819628 -0.606105
O -6.520847 0.705609 0.919155
N 6.419075 0.504693 -0.019222
N -5.878704 -0.013954 0.170011
C 2.320906 -0.355308 -0.593677
C 0.866047 -0.618213 -0.780400
C 5.070585 0.143761 -0.236919
C 3.059993 -1.080415 0.355221
C 2.970469 0.628812 -1.360499
C 4.420420 -0.845090 0.533832
C 4.327994 0.875987 -1.197162
C -1.643209 0.302092 0.265769
C -2.245460 -0.608045 -0.609667
C -2.417490 1.113589 1.113730
C -4.410086 0.096170 0.203593
C -3.636185 -0.713422 -0.642733
C -3.804080 1.012064 1.084259
C 7.326856 -0.459719 0.643759
H 0.527678 -0.409084 -1.813034
H 0.592929 -1.665906 -0.551663
H 2.565704 -1.838868 0.963958
H 2.405036 1.206281 -2.093210
H 4.969831 -1.414290 1.278345
H 4.812423 1.643655 -1.794827
H -1.652629 -1.239416 -1.269355
H -1.940726 1.822524 1.794829
H 6.866015 0.998907 -0.791939
H -4.130770 -1.418909 -1.319869
H -4.430520 1.632934 1.734718
H 7.402290 -1.428305 0.122706
H 6.984068 -0.648899 1.677386
H 8.335833 -0.020013 0.713870


%chk=000259514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259514

0 1
S 0.021006 0.797403 0.587370
O -6.406538 -1.060398 -0.787183
O -6.757434 0.495151 0.848495
N 6.594349 0.201171 -0.277448
N -5.979503 -0.191345 0.073338
C 2.363975 -0.259284 -0.558292
C 0.872537 -0.412176 -0.658473
C 5.213500 0.041620 -0.355401
C 3.121167 -1.037845 0.353899
C 3.061220 0.680436 -1.366319
C 4.518005 -0.901116 0.461019
C 4.453443 0.831133 -1.274251
C -1.749656 0.446300 0.372693
C -2.268814 -0.494816 -0.557792
C -2.649030 1.176101 1.203464
C -4.527511 0.028943 0.176659
C -3.655502 -0.705496 -0.657340
C -4.033833 0.972386 1.109686
C 7.451067 -0.554618 0.632946
H 0.492274 -0.146798 -1.658593
H 0.537449 -1.425030 -0.380926
H 2.607392 -1.764966 0.995121
H 2.501481 1.302015 -2.076065
H 5.067103 -1.523493 1.173950
H 4.967323 1.560356 -1.913437
H -1.603490 -1.067241 -1.209230
H -2.255645 1.902134 1.922922
H 7.026288 0.896762 -0.882539
H -4.073992 -1.424848 -1.366326
H -4.736863 1.523380 1.739651
H 7.398881 -1.645191 0.439076
H 7.180537 -0.383138 1.694739
H 8.497416 -0.236692 0.494790


