%chk=000292684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292684

0 1
S -2.556389 -1.704994 1.244448
O -3.346878 -1.762899 2.462504
O -2.190249 -2.946295 0.603433
N 1.729416 -0.004331 -0.278669
N -0.249816 -0.708564 0.733795
N -1.133377 -0.842110 1.793484
C 3.042695 0.483973 -0.226035
C 3.604884 0.903204 1.014272
C 2.789955 0.829997 2.221279
C 0.933328 -0.137165 0.907269
C 1.528683 0.338987 2.151152
C 3.829477 0.570082 -1.410824
C 4.933251 1.383471 1.028116
C 1.114723 -0.446304 -1.556750
C 3.353465 1.304454 3.520513
C 5.124603 1.047626 -1.355705
C 5.687859 1.457759 -0.130678
C -3.288278 -0.640203 0.110528
C -2.893691 -0.666594 -1.230975
C -4.279031 0.255699 0.530424
C -4.482934 1.094465 -1.737324
C -3.487553 0.195265 -2.154732
C -4.876450 1.118936 -0.386593
C -5.128281 2.021856 -2.712269
H 0.887867 0.300427 3.031867
H 3.404908 0.253545 -2.364440
H 5.374077 1.702641 1.973927
H 0.178556 0.115136 -1.737885
H 0.854388 -1.522024 -1.501055
H 1.789076 -0.291801 -2.414717
H 3.646634 2.363648 3.468199
H 4.243576 0.724522 3.806884
H 2.637632 1.215806 4.350276
H 5.722195 1.108855 -2.266417
H 6.709061 1.828543 -0.104147
H -0.732800 -1.105408 2.709993
H -2.118957 -1.369054 -1.558628
H -4.590638 0.273390 1.581875
H -3.180332 0.166367 -3.197434
H -5.647739 1.811969 -0.057097
H -4.989205 3.072799 -2.416939
H -4.731884 1.919474 -3.731103
H -6.213325 1.846250 -2.771022


%chk=000292684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292684

0 1
S -1.821263 2.532889 0.262815
O -1.990031 2.453255 1.896789
O -0.334035 1.301631 -0.219569
N 1.992694 1.312641 -0.571932
N 0.954416 3.272232 0.453303
N 1.436581 3.805153 1.500100
C 3.054556 0.456163 -0.253559
C 3.163666 -0.121111 1.063052
C 2.129388 0.175195 2.058999
C 0.948112 1.653875 0.377195
C 1.106080 1.026022 1.725161
C 4.047489 0.146516 -1.229665
C 4.260896 -0.977982 1.345836
C 1.873177 1.879973 -1.931042
C 2.175277 -0.476356 3.426651
C 5.123158 -0.702281 -0.912876
C 5.239077 -1.271890 0.379160
C -3.051309 1.266781 -0.372352
C -3.198555 1.067844 -1.757562
C -3.826736 0.570419 0.571762
C -4.962038 -0.590118 -1.284551
C -4.159285 0.132853 -2.205160
C -4.780313 -0.356825 0.106397
C -5.996446 -1.590905 -1.766566
H 0.270904 1.221347 2.408064
H 3.983194 0.570191 -2.234461
H 4.343585 -1.419266 2.344441
H 2.750468 2.507215 -2.173617
H 0.971719 2.504362 -1.967846
H 1.778895 1.075104 -2.683006
H 3.109445 -0.225799 3.963749
H 2.129888 -1.578679 3.345605
H 1.326560 -0.144571 4.046656
H 5.875419 -0.921357 -1.678975
H 6.078174 -1.931776 0.621016
H 1.740117 3.079826 2.240416
H -2.577443 1.612775 -2.476733
H -3.669012 0.764169 1.639314
H -4.283152 -0.038281 -3.280604
H -5.392931 -0.909147 0.829064
H -7.015936 -1.290226 -1.459929
H -5.990024 -1.687191 -2.865393
H -5.811922 -2.593268 -1.337347


