%chk=000243826.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243826

0 1
S 2.031718 2.342962 0.159402
O 2.506057 -2.606791 0.154308
O -2.951049 0.347167 1.679545
N 2.200189 -0.336205 0.137132
N -1.892601 -0.752848 -0.721132
N 0.020759 0.617200 -0.211862
N -2.649358 0.436040 -0.612004
C -0.516893 -0.678650 -0.316103
C 1.331954 0.727846 0.011108
C 0.274150 -1.802393 -0.189268
C 1.687735 -1.719964 0.035838
C 3.644479 -0.123594 0.386384
C -2.654015 -1.936419 -0.216966
C 0.626102 3.457560 0.035324
C -3.038032 0.977090 0.646783
H -0.125309 -2.813024 -0.260051
H 4.151536 -1.111436 0.458283
H 3.814935 0.407421 1.338746
H 4.117749 0.433761 -0.439830
H -2.735434 -1.963128 0.885757
H -2.157180 -2.855599 -0.571050
H -3.674138 -1.920587 -0.638997
H -2.402606 1.088046 -1.371564
H 1.003095 4.485051 0.132138
H -0.110402 3.274223 0.830709
H 0.108609 3.357746 -0.928665
H -3.514051 1.967324 0.555635


%chk=000243826-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243826

0 1
S 2.208451 2.395155 -0.019735
O 2.618725 -2.674870 0.154867
O -4.589301 0.127549 0.807876
N 2.306277 -0.329448 0.100043
N -1.829111 -0.682927 0.079336
N 0.114585 0.624691 0.015732
N -2.461428 0.567788 -0.135529
C -0.438288 -0.658208 0.072388
C 1.438513 0.735710 0.036504
C 0.355085 -1.813337 0.093086
C 1.788802 -1.718087 0.119431
C 3.772620 -0.151713 0.136211
C -2.595364 -1.919252 -0.159248
C 0.670716 3.472629 -0.050706
C -3.736095 0.898037 0.281723
H -0.062459 -2.819418 0.097223
H 4.206823 -1.163035 0.175039
H 4.073697 0.419490 1.031756
H 4.125537 0.370476 -0.770418
H -2.254140 -2.694080 0.546664
H -2.462415 -2.283089 -1.197151
H -3.656029 -1.716295 0.044731
H -1.762184 1.290461 -0.365430
H 1.044744 4.506968 -0.001345
H 0.043039 3.242229 0.821204
H 0.116955 3.304994 -0.985113
H -3.939754 1.966382 0.040460


