%chk=000254335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254335

0 1
S 1.078771 3.059490 -2.026323
O -0.707024 0.128161 -0.184092
O -0.984463 2.272551 0.730964
O 2.456043 -1.106298 -0.359345
O 2.077181 0.061683 1.554495
N 3.050076 1.704160 -1.267859
N 2.799513 2.665644 -2.017021
C -0.657290 1.552054 -0.430938
C 0.744579 1.779992 -0.905328
C 1.920820 1.145069 -0.595451
C -1.938174 -0.475887 0.047647
C 2.147923 0.016070 0.349165
C -3.072261 0.196404 0.511831
C -1.923924 -1.859967 -0.196208
C -4.234027 -0.551100 0.730257
C -3.094958 -2.578708 0.037923
C 2.758438 -2.328739 0.398628
C -0.176589 2.033718 1.911014
C -4.249976 -1.928834 0.494903
C 4.148139 -2.235138 0.987528
H -1.453350 1.854500 -1.150883
H -3.045930 1.264445 0.724955
H -1.016578 -2.338106 -0.556199
H 1.973655 -2.468929 1.162590
H 2.670689 -3.083146 -0.405368
H -5.132147 -0.050492 1.092414
H -3.112295 -3.653945 -0.140090
H -0.044177 0.956633 2.078425
H -0.777988 2.492217 2.703198
H 0.791211 2.530454 1.797946
H -5.158856 -2.500057 0.669104
H 4.476237 -3.196163 1.400992
H 4.885646 -1.926537 0.233286
H 4.191187 -1.493597 1.800042


%chk=000254335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254335

0 1
S 0.943849 3.224399 -1.828250
O -0.732803 0.100535 0.029148
O -1.064698 2.375120 0.845639
O 2.613446 -1.181329 -0.481485
O 1.850462 -0.215272 1.503139
N 2.988070 1.577999 -1.254580
N 2.909707 2.634591 -1.945414
C -0.693186 1.531432 -0.268801
C 0.705469 1.812585 -0.799254
C 1.870188 1.057677 -0.589691
C -2.006470 -0.517062 0.148386
C 2.076243 -0.152950 0.273646
C -3.212804 0.194408 0.352463
C -1.995680 -1.927878 0.060968
C -4.422019 -0.532780 0.447419
C -3.210113 -2.636400 0.168536
C 2.998482 -2.425955 0.265491
C -0.152397 2.347413 2.015347
C -4.430157 -1.942641 0.356579
C 4.396093 -2.278207 0.871005
H -1.457383 1.772030 -1.031844
H -3.207318 1.280698 0.476456
H -1.042682 -2.442151 -0.097671
H 2.235756 -2.616266 1.040896
H 2.960626 -3.205211 -0.511590
H -5.359388 0.011393 0.607782
H -3.204202 -3.729716 0.099056
H 0.129616 1.314035 2.275016
H -0.727259 2.815350 2.827963
H 0.758140 2.939996 1.808731
H -5.371953 -2.495349 0.437265
H 4.702017 -3.235392 1.332371
H 5.134993 -2.016671 0.094647
H 4.407458 -1.500829 1.652836


