%chk=000286442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286442

0 1
S 2.147842 2.010050 -0.480193
S -1.223156 -1.884689 -0.648069
O 3.111582 2.698998 0.350725
O 2.008610 2.316491 -1.884027
O -0.728296 0.563082 1.747537
N 0.624627 2.469483 0.286578
N -0.475187 1.734039 -0.199304
C 2.323720 0.313379 -0.273953
C 1.975021 -0.562390 -1.309001
C 2.848028 -0.197909 0.920306
C 2.671206 -2.452316 0.042957
C 2.152484 -1.938100 -1.157077
C 3.019570 -1.571361 1.083032
C -2.505497 0.419841 0.117849
C -1.191798 0.882948 0.665540
C -2.639456 -0.851472 -0.446838
C 2.867431 -3.922385 0.206226
C -3.621376 1.262754 0.208516
C -3.871155 -1.290667 -0.933682
C -4.858426 0.826387 -0.275989
C -4.982698 -0.444336 -0.848432
C -0.871760 -2.446295 1.033263
H 1.568209 -0.167448 -2.247758
H 3.135701 0.482495 1.729641
H 0.630862 2.530796 1.326760
H 1.882488 -2.610680 -1.969568
H 3.427593 -1.959906 2.013976
H -0.941497 2.214993 -0.981739
H 2.822025 -4.243168 1.255904
H 2.120429 -4.510693 -0.345203
H 3.855867 -4.224729 -0.176584
H -3.528918 2.251048 0.659966
H -3.969924 -2.283980 -1.375863
H -5.728287 1.479721 -0.206166
H -5.949114 -0.778775 -1.226572
H -1.642228 -3.128121 1.404810
H -0.778023 -1.602501 1.739553
H 0.092899 -2.970782 1.012178


%chk=000286442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286442

0 1
S 1.627222 1.537874 -0.517538
S -2.212064 -2.127915 -0.781753
O 2.749793 2.684713 -0.827529
O 0.413666 1.216435 -1.587335
O -0.974322 -0.192166 1.434337
N 0.292491 2.245097 1.168608
N -0.947185 1.981155 0.652391
C 2.563897 -0.080075 -0.228548
C 1.850766 -1.289938 -0.264041
C 3.947856 0.001195 -0.003721
C 3.985305 -2.459884 0.162810
C 2.582987 -2.481238 -0.066921
C 4.652725 -1.206956 0.192628
C -2.883068 0.567722 0.071050
C -1.566308 0.696952 0.755219
C -3.279415 -0.628053 -0.603529
C 4.759465 -3.753055 0.342372
C -3.772553 1.679373 0.091321
C -4.527269 -0.660868 -1.269195
C -5.020638 1.626146 -0.560551
C -5.395559 0.454069 -1.253476
C -2.434857 -2.922164 0.924497
H 0.769835 -1.311153 -0.444966
H 4.451161 0.973552 -0.003753
H 0.481747 1.463103 1.850091
H 2.054074 -3.441015 -0.093673
H 5.734259 -1.173662 0.367926
H -1.272094 2.647775 -0.052931
H 5.665759 -3.602326 0.954008
H 4.143805 -4.531631 0.825503
H 5.085910 -4.153621 -0.636997
H -3.497278 2.580278 0.651995
H -4.809711 -1.574089 -1.801756
H -5.693510 2.489046 -0.524839
H -6.358489 0.401453 -1.772360
H -3.504350 -3.095685 1.116741
H -1.984107 -2.262139 1.677663
H -1.900548 -3.884504 0.875549


