%chk=000206962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206962

0 1
S 2.828617 -1.631322 -0.711115
S 3.252885 1.153000 0.193112
N -1.908115 0.335196 -0.033585
N 0.946235 -0.157972 0.474103
C -1.196991 -0.859342 -0.582977
C -0.953298 1.468732 0.201279
C 0.007510 -1.299995 0.304392
C 0.290211 1.055346 1.040878
C -2.136979 -2.044506 -0.801278
C -0.537416 2.076411 -1.140251
C -2.722507 0.050814 1.183103
C 2.214441 -0.135146 0.039038
H -0.796785 -0.535915 -1.585706
H -1.500309 2.257560 0.786307
H -0.342112 -1.618551 1.312741
H 0.491636 -2.195223 -0.139269
H 1.006046 1.912540 1.093285
H -0.001921 0.832907 2.090538
H -1.666334 -2.811806 -1.427310
H -2.448388 -2.524102 0.132396
H -3.050427 -1.719797 -1.321620
H 0.139320 1.426780 -1.708494
H -1.415001 2.264742 -1.773253
H -0.014733 3.029646 -0.997202
H -3.194431 0.983805 1.532711
H -2.167612 -0.393502 2.021318
H -3.545929 -0.629975 0.909987
H 4.109288 -1.224224 -0.915728


%chk=000206962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206962

0 1
S 2.877769 -1.717071 -0.674578
S 3.313865 1.234426 0.178059
N -1.909681 0.325764 0.002755
N 0.947586 -0.142220 0.426946
C -1.224683 -0.864477 -0.577478
C -0.954861 1.463836 0.192912
C 0.023652 -1.293764 0.262723
C 0.283824 1.036444 1.041958
C -2.170881 -2.059088 -0.788284
C -0.530843 2.091902 -1.151459
C -2.755242 0.069081 1.190192
C 2.261358 -0.107650 0.045390
H -0.847191 -0.555198 -1.571040
H -1.495696 2.234858 0.776046
H -0.293216 -1.639978 1.268011
H 0.536881 -2.130297 -0.236967
H 1.024810 1.849183 1.107874
H -0.030998 0.754739 2.067020
H -1.674560 -2.832039 -1.401919
H -2.476250 -2.530861 0.163585
H -3.079717 -1.730205 -1.321769
H 0.153021 1.440159 -1.722665
H -1.425401 2.290107 -1.766007
H 0.001005 3.043707 -0.975822
H -3.244626 1.014829 1.483268
H -2.216223 -0.323568 2.087365
H -3.553362 -0.648524 0.938044
H 4.146561 -1.207994 -0.866763


