%chk=000265918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265918

0 1
S 2.056614 1.629080 0.670354
O 1.838530 2.690466 -0.283954
O 2.911638 1.837812 1.823923
N 0.557746 1.189252 1.402396
N -5.134787 -2.976694 1.318181
C -2.912724 0.045947 0.665066
C -1.712072 0.254730 1.364584
C -0.683245 1.011002 0.735274
C -4.040814 -0.758248 1.257937
C -3.089734 0.574864 -0.622409
C -2.082980 1.340627 -1.220892
C -0.879913 1.563223 -0.540559
C -1.498884 -0.303101 2.737028
C -3.955030 -2.224488 0.798016
C 2.543631 0.201446 -0.156846
C -2.301657 1.928706 -2.577880
C 2.033165 -0.099693 -1.424760
C 3.472151 -0.660598 0.440131
C 3.366206 -2.126596 -1.489620
C 2.438548 -1.256808 -2.089435
C 3.882904 -1.818528 -0.218320
C 3.811715 -3.356385 -2.206240
H -4.028956 -0.699597 2.366974
H -5.023988 -0.333955 0.959379
H -4.022373 0.397809 -1.151998
H -0.128731 2.219594 -0.990229
H 0.529356 1.090669 2.426761
H -0.751176 -1.108157 2.724875
H -1.161043 0.468354 3.443267
H -2.422482 -0.725630 3.161930
H -2.979741 -2.658878 1.107380
H -3.987409 -2.267931 -0.314748
H -3.094953 2.690857 -2.548989
H -1.404654 2.419769 -2.978263
H -2.610792 1.165930 -3.304891
H 1.313823 0.574367 -1.904269
H 3.885289 -0.420524 1.427805
H 2.036676 -1.483880 -3.075209
H 4.607239 -2.481325 0.251293
H -5.143772 -2.977913 2.333096
H -5.094321 -3.946373 1.019965
H 4.169881 -4.139756 -1.524000
H 3.010250 -3.801905 -2.812596
H 4.642069 -3.125841 -2.893109


%chk=000265918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265918

0 1
S 2.108022 1.923226 0.399525
O 1.950729 2.786267 -0.966150
O 3.242482 2.231482 1.525293
N 0.407814 2.143151 1.368353
N -3.650985 -3.635288 0.544798
C -2.609444 0.067030 0.449302
C -1.421841 0.451737 1.135360
C -0.744918 1.640663 0.700563
C -3.402176 -1.179750 0.822539
C -3.052346 0.833462 -0.660662
C -2.370523 1.992189 -1.110382
C -1.215642 2.393641 -0.408263
C -0.861659 -0.334424 2.311385
C -2.813084 -2.473235 0.197708
C 2.281063 0.107239 -0.105437
C -2.896475 2.805332 -2.280083
C 1.675736 -0.322384 -1.298090
C 3.016640 -0.742958 0.737382
C 2.543101 -2.586741 -0.833303
C 1.810299 -1.684123 -1.649364
C 3.143779 -2.097090 0.358025
C 2.715037 -4.037225 -1.245627
H -3.457783 -1.305206 1.922168
H -4.443879 -1.091070 0.466248
H -3.964163 0.515925 -1.183625
H -0.666043 3.296624 -0.692167
H 0.618208 1.693542 2.278118
H 0.187612 -0.638971 2.129644
H -0.880512 0.255793 3.249417
H -1.435262 -1.253480 2.501081
H -1.742793 -2.570440 0.505249
H -2.814235 -2.361789 -0.902982
H -3.668232 3.526338 -1.947538
H -2.090400 3.385441 -2.761428
H -3.361447 2.159871 -3.046692
H 1.134161 0.384914 -1.933945
H 3.494385 -0.346995 1.639911
H 1.345235 -2.046446 -2.573415
H 3.722034 -2.779921 0.991229
H -3.714446 -3.825098 1.549931
H -3.462340 -4.482666 0.002110
H 2.847832 -4.696381 -0.370231
H 1.847795 -4.401774 -1.823156
H 3.609864 -4.158711 -1.886399


