%chk=000298439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298439

0 1
S 1.936650 -0.925042 -0.059150
O 1.946977 -2.338461 -0.368348
O 2.355187 0.042663 -1.054713
O -1.424211 2.709030 -0.318906
O -0.454343 2.138856 1.612576
N 2.993191 -0.730157 1.284012
C 0.368718 -0.424349 0.596523
C -0.318767 0.607143 -0.325289
C -1.933497 -1.202233 0.087802
C -0.593939 -1.617415 0.743836
C -1.561924 -0.088729 -0.913879
C -2.645497 -2.374014 -0.578698
C -0.704190 1.840259 0.468077
H 0.516291 0.035816 1.616457
H 0.357034 0.957489 -1.159340
H -2.601889 -0.773228 0.873058
H -0.741056 -1.877740 1.806322
H -0.197502 -2.538516 0.263855
H -2.394481 0.616694 -1.082135
H -1.320785 -0.511873 -1.907255
H -2.027679 -2.847423 -1.352424
H -2.902119 -3.152633 0.149463
H -3.578452 -2.054859 -1.057837
H 3.661489 0.038656 1.260197
H 3.459416 -1.559540 1.648200
H -1.675321 3.542709 0.163796


%chk=000298439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298439

0 1
S 2.006716 -0.943354 -0.105713
O 1.909891 -2.521655 -0.506389
O 2.483026 0.171477 -1.202225
O -1.659778 2.699928 -0.301969
O -0.721815 2.120823 1.737453
N 3.160655 -0.852970 1.328102
C 0.283195 -0.334908 0.718126
C -0.340855 0.682515 -0.256088
C -1.947107 -1.144326 0.047167
C -0.661566 -1.540183 0.841359
C -1.423441 -0.140499 -1.014326
C -2.697068 -2.350201 -0.546923
C -0.902784 1.864362 0.525731
H 0.663370 0.096617 1.656744
H 0.417426 1.096895 -0.954890
H -2.631116 -0.600286 0.731452
H -0.867793 -1.777389 1.898749
H -0.199091 -2.438788 0.383531
H -2.211539 0.500076 -1.440391
H -0.939448 -0.689887 -1.844697
H -2.042693 -2.916337 -1.236237
H -3.034007 -3.044232 0.244916
H -3.590445 -2.026182 -1.111811
H 3.842907 -0.097059 1.148734
H 3.605152 -1.781040 1.429241
H -1.982492 3.479706 0.226552


