%chk=000280707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280707

0 1
S 0.830826 -1.098437 -0.480791
O 0.264083 -0.853564 -1.794449
O 0.795950 -2.414150 0.116699
O -0.509561 3.162706 0.091386
O -1.176696 2.324404 2.057796
N -0.037168 -0.072275 0.615062
C -1.029697 0.858493 0.039296
C -2.433943 0.287156 0.018544
C 2.434954 -0.471422 -0.417682
C -0.942840 2.130679 0.891158
C -3.286677 0.368041 1.126518
C -2.856731 -0.373487 -1.145615
C 3.364769 -1.027971 0.467491
C 2.804832 0.588584 -1.252452
C -4.565814 -0.192284 1.062341
C -4.135097 -0.932605 -1.203189
C -4.992393 -0.839769 -0.101182
C 4.665371 -0.519202 0.523060
C 4.105366 1.098051 -1.197196
C 5.033528 0.544860 -0.307977
H -0.726994 1.132506 -1.021211
H -0.368517 -0.492543 1.498248
H -2.959206 0.869059 2.041846
H -2.177401 -0.465878 -2.000335
H 3.079125 -1.868055 1.111038
H 2.082637 1.015555 -1.956592
H -5.229197 -0.124322 1.923357
H -4.461495 -1.445250 -2.107171
H -5.989369 -1.275001 -0.148783
H 5.390387 -0.951652 1.211503
H 4.394834 1.923362 -1.846503
H 6.048357 0.943225 -0.263798
H -0.425626 4.024486 0.580381


%chk=000280707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280707

0 1
S 0.798460 -0.845552 -0.629429
O 0.321310 -0.368160 -2.117347
O 0.602282 -2.368499 -0.087764
O -1.125797 3.486558 -0.207031
O -1.304551 2.619709 1.939425
N -0.033552 0.327391 0.599712
C -1.174251 1.084630 -0.015668
C -2.521961 0.355924 0.031824
C 2.619918 -0.391627 -0.443051
C -1.209358 2.433770 0.707989
C -3.307515 0.317476 1.213849
C -2.960527 -0.343413 -1.121720
C 3.391763 -1.160523 0.441321
C 3.120375 0.668167 -1.215248
C -4.516121 -0.413118 1.236014
C -4.170643 -1.070232 -1.094912
C -4.951780 -1.106877 0.083349
C 4.761290 -0.829361 0.565296
C 4.492246 0.981182 -1.075890
C 5.305014 0.238971 -0.186047
H -0.898770 1.270242 -1.068660
H -0.344923 -0.293961 1.373103
H -2.979863 0.863837 2.105822
H -2.341007 -0.333197 -2.025764
H 2.944476 -1.995300 0.990347
H 2.471733 1.209960 -1.910663
H -5.119343 -0.437904 2.150430
H -4.499915 -1.610180 -1.989402
H -5.890567 -1.671631 0.103502
H 5.397825 -1.406584 1.243602
H 4.922194 1.799099 -1.662976
H 6.366626 0.488605 -0.084693
H -1.174470 4.353897 0.281480


