%chk=000180667.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180667

0 1
S 3.497501 1.342811 -0.006575
O 3.574272 -1.268283 -0.500629
N 1.712238 -0.501623 0.636221
C -1.372860 -0.971222 0.107867
C -0.179588 -1.806633 -0.367595
C -2.542064 -1.047520 -0.887044
C 0.985523 -1.797415 0.632497
C -3.700264 -0.214211 -0.408230
C -4.689368 -0.781951 0.409629
C -3.793895 1.138835 -0.769166
C 2.922277 -0.375982 -0.010637
C -5.760762 -0.004309 0.856856
C -4.867319 1.911872 -0.319132
C 5.168906 1.172705 -0.716337
C 6.196853 1.479919 0.363106
C -5.852890 1.343092 0.493926
C 7.615839 1.410594 -0.200601
H -1.073325 0.086573 0.241500
H -1.711123 -1.317705 1.104429
H 0.170113 -1.445897 -1.356401
H -0.496103 -2.856119 -0.534828
H -2.210235 -0.709086 -1.889973
H -2.855070 -2.102078 -1.027098
H 0.624783 -1.992970 1.667298
H 1.705273 -2.614846 0.381143
H 1.186074 0.311008 0.949370
H -4.623426 -1.829087 0.696730
H -3.030214 1.587918 -1.400702
H -6.526396 -0.449959 1.489794
H -4.936146 2.960691 -0.603352
H 5.240772 1.870213 -1.571893
H 5.299853 0.144431 -1.123596
H 6.019584 2.483897 0.800525
H 6.096888 0.762827 1.205146
H -6.688108 1.946311 0.842197
H 7.770566 2.135749 -1.007425
H 8.358128 1.623528 0.577630
H 7.843012 0.415920 -0.603050


%chk=000180667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180667

0 1
S 3.335306 1.635866 0.299855
O 3.540566 -0.984030 -0.608798
N 1.709572 -0.486078 0.760112
C -1.298412 -1.012076 0.127876
C -0.107345 -1.908850 -0.273419
C -2.500780 -1.148335 -0.848234
C 1.093198 -1.827246 0.698521
C -3.675041 -0.265932 -0.450620
C -4.679376 -0.746679 0.429080
C -3.769812 1.071727 -0.914857
C 2.865953 -0.178768 0.081689
C -5.747371 0.084478 0.836467
C -4.835711 1.907250 -0.511082
C 5.010697 1.573459 -0.581736
C 6.175270 1.262603 0.371851
C -5.828955 1.416192 0.367725
C 7.526244 1.245824 -0.381189
H -0.982254 0.049879 0.152336
H -1.636169 -1.268832 1.153065
H 0.238488 -1.645244 -1.291858
H -0.440519 -2.966593 -0.312618
H -2.155546 -0.890129 -1.868587
H -2.814053 -2.210756 -0.875811
H 0.776233 -2.113101 1.720487
H 1.884748 -2.526130 0.378166
H 1.249677 0.246431 1.303564
H -4.626623 -1.781361 0.791096
H -3.006214 1.457705 -1.601984
H -6.516808 -0.305921 1.512449
H -4.894734 2.936119 -0.884164
H 5.116625 2.558856 -1.066804
H 4.905561 0.788409 -1.350977
H 6.205520 2.012313 1.185185
H 5.997473 0.279108 0.845243
H -6.658194 2.061195 0.679053
H 7.740646 2.227263 -0.844530
H 8.356802 1.008960 0.308007
H 7.524637 0.484421 -1.182960


