%chk=000289100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289100

0 1
S 5.476961 -0.871584 0.488890
S 3.084795 -2.651174 0.412367
O -3.523723 -1.785871 0.280132
O -4.652850 0.789816 -0.557820
O 3.474570 2.212020 -0.673503
N 3.133314 -0.030436 -0.219300
C 1.671537 0.042285 -0.515232
C 0.862673 0.294717 0.767161
C -0.599170 0.405260 0.431613
C 3.945611 1.160659 -0.322504
C -1.409500 -0.738340 0.459493
C 5.376584 0.881893 0.043820
C -1.147061 1.647279 0.073489
C 3.749899 -1.196246 0.202310
C -2.769194 -0.629133 0.147791
C -3.323474 0.628537 -0.180698
C -2.506017 1.763505 -0.225095
C -4.232236 -2.184588 -0.926215
C -5.595995 0.548457 0.523618
H 1.346808 -0.905928 -1.005007
H 1.507940 0.870160 -1.247052
H 1.034924 -0.524082 1.499011
H 1.217705 1.216867 1.272718
H -1.002389 -1.715256 0.720742
H 6.057620 1.116605 -0.802605
H 5.706355 1.525637 0.887341
H -0.511704 2.531458 0.034159
H -2.944396 2.724257 -0.493668
H -3.505765 -2.538693 -1.662718
H -4.829886 -1.355990 -1.323739
H -4.863493 -3.002489 -0.563269
H -5.444663 -0.449070 0.951133
H -6.560710 0.628080 0.011907
H -5.482669 1.327090 1.282530


%chk=000289100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289100

0 1
S 5.517535 -1.043904 0.455307
S 2.930574 -2.726616 0.333215
O -3.561422 -1.767171 0.302381
O -4.736742 0.785124 -0.532474
O 3.555559 2.254979 -0.610762
N 3.147656 -0.032698 -0.222086
C 1.695767 0.096938 -0.499958
C 0.884080 0.409999 0.786745
C -0.600482 0.503368 0.468097
C 3.976349 1.114027 -0.300085
C -1.424094 -0.647553 0.533878
C 5.431482 0.793216 0.031125
C -1.175062 1.727111 0.038052
C 3.722661 -1.252747 0.159635
C -2.791745 -0.584226 0.195354
C -3.369496 0.660825 -0.189430
C -2.547735 1.804567 -0.280974
C -4.140832 -2.243693 -0.975820
C -5.680003 0.499213 0.574835
H 1.354580 -0.853904 -0.942474
H 1.579189 0.913896 -1.232146
H 1.072401 -0.391006 1.523962
H 1.249589 1.362836 1.211492
H -1.015616 -1.616458 0.843204
H 6.071103 1.008323 -0.839182
H 5.765157 1.395196 0.890550
H -0.550618 2.626011 -0.027969
H -3.009946 2.747284 -0.591072
H -3.331749 -2.524142 -1.676687
H -4.781314 -1.468894 -1.434408
H -4.734310 -3.132856 -0.714228
H -5.527879 -0.520439 0.972085
H -6.684442 0.598642 0.135972
H -5.547792 1.240454 1.385667


