%chk=000275712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275712

0 1
S 2.327823 0.786440 0.635655
O 2.474816 0.883364 2.069639
O 3.489069 0.751925 -0.225043
O -0.344297 1.794988 -1.830469
N 1.530280 2.265588 0.094404
N 0.142998 2.261414 0.346612
C -2.991623 1.061776 -0.369397
C -2.215996 2.386490 -0.405147
C -2.636769 0.209678 0.855869
C 1.272847 -0.526500 0.278174
C -0.764042 2.141173 -0.739290
C -3.441558 -1.087018 0.885316
C 0.861922 -0.786851 -1.034002
C 0.852386 -1.368483 1.316339
C -0.379901 -2.727326 -0.270366
C 0.039380 -1.879923 -1.309445
C 0.031758 -2.462358 1.048853
C -1.241456 -3.909765 -0.562290
H -2.792302 0.489296 -1.299682
H -4.077941 1.279778 -0.376762
H -2.641573 3.043490 -1.196935
H -2.352876 2.937106 0.545346
H -2.816320 0.783992 1.785198
H -1.551712 -0.027121 0.850037
H -3.187782 -1.686015 1.767750
H -3.239328 -1.705392 0.002442
H -4.520246 -0.897029 0.916957
H 1.761532 2.573013 -0.875394
H -0.086945 2.845940 1.161654
H 1.167826 -0.127271 -1.855699
H 1.171331 -1.165741 2.346903
H -0.275241 -2.071590 -2.334041
H -0.286405 -3.113603 1.860264
H -1.949129 -4.124950 0.250366
H -1.831514 -3.788664 -1.481243
H -0.624409 -4.813150 -0.696774


%chk=000275712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275712

0 1
S 2.616142 0.872386 0.329601
O 2.982556 1.008201 1.911301
O 3.752719 0.778705 -0.837214
O -0.673391 1.816479 -1.593483
N 1.565899 2.651046 -0.128213
N 0.263688 2.648627 0.351136
C -3.248904 1.400921 -0.176682
C -2.213017 2.474534 0.233209
C -2.959018 0.008256 0.426087
C 1.469638 -0.631127 0.187677
C -0.853802 2.251077 -0.419608
C -4.012726 -1.041045 0.012420
C 1.202153 -1.158483 -1.087390
C 0.971944 -1.191440 1.374744
C -0.150870 -2.909949 0.005857
C 0.386266 -2.306268 -1.164658
C 0.158458 -2.342736 1.269232
C -1.044225 -4.131408 -0.103190
H -3.261910 1.330022 -1.280827
H -4.254504 1.740709 0.140350
H -2.570779 3.472591 -0.092831
H -2.110251 2.515740 1.335959
H -2.926661 0.085104 1.532676
H -1.956181 -0.331766 0.102540
H -3.788808 -2.029935 0.453860
H -4.042104 -1.157783 -1.087201
H -5.025341 -0.745307 0.346176
H 1.493553 2.511833 -1.168072
H 0.158501 2.997186 1.306592
H 1.628346 -0.702715 -1.986332
H 1.242965 -0.758223 2.343137
H 0.164760 -2.740063 -2.146613
H -0.236191 -2.805603 2.180894
H -1.206479 -4.606964 0.878810
H -2.036198 -3.857990 -0.511812
H -0.611624 -4.887912 -0.782331


