%chk=000263910.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263910

0 1
S 2.753052 -0.940567 1.333728
S -2.486065 0.733702 0.815167
O 3.215036 -1.840429 2.375515
O 1.909719 0.183551 1.704011
O -1.854908 1.897356 0.217103
O -2.621721 0.623804 2.254021
N 1.910380 -1.942277 0.210997
N -1.664887 -0.692965 0.279608
C 1.070533 -3.021413 0.789521
C 1.475252 -1.341990 -1.071350
C -0.915382 -1.432444 1.341161
C -0.983047 -0.590551 -1.037660
C -0.452470 -2.809722 0.844193
C 0.491751 -0.161379 -0.993524
C 4.088068 -0.352080 0.412454
C -4.042959 0.546582 0.078136
C 4.115783 0.987179 0.005644
C -4.928026 -0.431474 0.540765
C 5.157255 -1.198099 0.100157
C -4.422741 1.390508 -0.970721
C 5.197607 1.475968 -0.725415
C -6.185586 -0.575843 -0.047865
C 6.242924 -0.715943 -0.631536
C -5.677440 1.253224 -1.564206
C 6.269969 0.625917 -1.050316
C -6.567993 0.266036 -1.106123
C 7.437366 1.150044 -1.816928
C -7.918093 0.126481 -1.726719
H 1.451130 -3.247520 1.818204
H 1.271798 -3.941136 0.187807
H 1.044004 -2.150210 -1.706456
H 2.400859 -1.008399 -1.600589
H -1.610489 -1.558945 2.206657
H -0.057856 -0.830763 1.730896
H -1.553403 0.119362 -1.679753
H -1.075538 -1.589196 -1.529192
H -0.890802 -3.017401 -0.154132
H -0.881044 -3.591576 1.504167
H 0.675929 0.462686 -0.085521
H 0.691294 0.530056 -1.835081
H 3.286166 1.656667 0.269300
H -4.641301 -1.084918 1.370751
H 5.148710 -2.241089 0.434393
H -3.733901 2.168498 -1.322725
H 5.214353 2.518949 -1.036429
H -6.870650 -1.337369 0.318407
H 7.072625 -1.378339 -0.870111
H -5.968176 1.915146 -2.376985
H 7.924044 0.376676 -2.427178
H 7.163179 1.969451 -2.495970
H 8.203744 1.546228 -1.131072
H -8.295936 -0.904391 -1.685595
H -8.651867 0.758503 -1.201411
H -7.930448 0.431051 -2.782200


%chk=000263910-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000263910

0 1
S 2.785091 -0.700796 1.297393
S -2.696039 0.639601 0.971185
O 3.179220 -1.728878 2.500158
O 2.017768 0.704095 1.641243
O -2.060191 2.039411 0.404062
O -2.892768 0.373845 2.567049
N 1.888308 -1.764691 0.052642
N -1.783786 -0.913878 0.296948
C 1.190446 -2.925261 0.641104
C 1.429661 -1.037829 -1.152075
C -0.865282 -1.462759 1.341536
C -1.173748 -0.603540 -1.031182
C -0.349992 -2.844641 0.848837
C 0.258701 -0.011209 -1.069757
C 4.335294 -0.240179 0.331276
C -4.364775 0.435642 0.115411
C 4.482987 1.094499 -0.075863
C -5.237304 -0.566493 0.569247
C 5.307492 -1.229227 0.111924
C -4.689190 1.331547 -0.914482
C 5.669311 1.445609 -0.758747
C -6.495902 -0.677376 -0.060110
C 6.483253 -0.852439 -0.572409
C -5.954734 1.199274 -1.529501
C 6.681571 0.483898 -1.015260
C -6.872014 0.198743 -1.114551
C 7.968024 0.881733 -1.715331
C -8.242566 0.088470 -1.757805
H 1.692702 -3.110750 1.610604
H 1.420777 -3.797825 -0.004648
H 1.179529 -1.829923 -1.888876
H 2.315505 -0.510633 -1.559565
H -1.450724 -1.555227 2.270158
H -0.017332 -0.780080 1.556120
H -1.868922 0.082745 -1.549524
H -1.201585 -1.550859 -1.608258
H -0.875302 -3.117843 -0.084209
H -0.623011 -3.623656 1.585015
H 0.418618 0.691691 -0.233086
H 0.328842 0.596429 -1.995011
H 3.702805 1.828144 0.153073
H -4.947710 -1.228130 1.391262
H 5.154968 -2.251942 0.470081
H -3.980035 2.115086 -1.202025
H 5.810878 2.480595 -1.090146
H -7.196319 -1.452015 0.273078
H 7.259095 -1.603613 -0.760251
H -6.233510 1.886133 -2.337004
H 8.386825 0.046314 -2.302829
H 7.813700 1.737599 -2.394753
H 8.737337 1.181998 -0.977804
H -8.610998 -0.952153 -1.752765
H -8.983585 0.701508 -1.209088
H -8.231585 0.444435 -2.802490


