%chk=000103914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103914

0 1
S -3.721459 0.959693 0.316165
O -5.132560 0.818823 0.125616
O -3.172223 1.833956 1.327175
O -3.086485 1.570997 -1.116383
N 0.659794 0.578022 0.561074
C -0.632059 0.119287 1.136951
C -1.489156 -0.561515 0.050317
C 1.717184 -0.345293 0.412025
C 0.722269 1.898411 -0.003514
C -2.971742 -0.622475 0.405296
C 2.878839 0.022107 -0.322926
C 1.920821 2.204562 -0.796568
C 2.936075 1.333527 -0.943708
C 1.657736 -1.633838 1.005216
C -0.248685 2.810161 0.192986
C 3.943849 -0.891563 -0.439587
C 2.723459 -2.511034 0.871898
C 3.872711 -2.147510 0.148249
H -1.161251 1.001877 1.590618
H -0.443597 -0.575860 1.985767
H -1.108474 -1.589895 -0.126790
H -1.349903 -0.041823 -0.926822
H -3.107676 -1.078230 1.409844
H -3.481735 -1.343450 -0.274207
H 1.939019 3.193284 -1.256607
H 3.823451 1.578637 -1.528641
H 0.784367 -1.932611 1.581264
H -1.120255 2.665803 0.817902
H -2.493254 2.345514 -1.016770
H -0.192994 3.808722 -0.202618
H 4.832742 -0.601349 -1.001267
H 2.672693 -3.497152 1.335242
H 4.698202 -2.848384 0.054503


%chk=000103914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103914

0 1
S -3.707408 1.111822 0.187264
O -5.228020 1.007237 -0.332728
O -3.345298 1.959238 1.534088
O -2.697911 1.721140 -1.207330
N 0.629792 0.555866 0.582834
C -0.623863 0.073101 1.212971
C -1.487651 -0.705642 0.174908
C 1.706613 -0.351582 0.418136
C 0.629481 1.856071 0.006584
C -2.990221 -0.691075 0.435808
C 2.857670 0.044125 -0.347628
C 1.790697 2.201886 -0.808117
C 2.855927 1.353442 -0.970192
C 1.691009 -1.655022 0.990472
C -0.410666 2.778158 0.158493
C 3.949743 -0.851223 -0.496745
C 2.788089 -2.523796 0.828281
C 3.928220 -2.129876 0.086147
H -1.180511 0.934503 1.609811
H -0.384376 -0.554913 2.086264
H -1.167009 -1.764949 0.132218
H -1.303859 -0.288114 -0.831746
H -3.297267 -0.922985 1.468977
H -3.561452 -1.281642 -0.297345
H 1.780300 3.192346 -1.270986
H 3.721853 1.652793 -1.570981
H 0.835313 -2.007342 1.570948
H -1.168073 2.729834 0.947551
H -1.825339 2.163594 -0.814196
H -0.257406 3.768910 -0.280062
H 4.815946 -0.523724 -1.083757
H 2.750402 -3.518438 1.285719
H 4.774977 -2.812344 -0.033960


