%chk=000103613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000103613

0 1
S 1.806973 -0.170280 -2.183937
O 1.779383 -1.645071 -2.344868
O 1.781565 -1.154579 2.151311
O 3.954967 2.944686 0.842782
O 2.364577 3.193811 -0.716822
O -1.668092 -3.053903 -0.034504
N 1.697051 0.517390 0.421900
N -1.118284 -0.922804 0.578205
C 0.768279 0.212775 -0.707958
C 3.427849 0.266050 -1.326481
C 3.055828 0.920246 0.031418
C 0.236287 -1.020039 0.074636
C 1.345529 -0.702421 1.144488
C 4.191606 -1.023748 -1.097692
C 4.149057 1.198323 -2.279098
C 3.028323 2.448785 -0.039227
C -2.013043 -2.005508 0.470892
C -3.388020 -1.765972 1.065721
C -3.998579 -0.454161 0.666918
C -4.176037 0.562582 1.616263
C -4.394611 -0.245183 -0.663466
C -4.748751 1.779656 1.234836
C -4.964516 0.973789 -1.037455
C -5.142317 1.988212 -0.090294
H 0.052843 1.022120 -0.934717
H 3.786620 0.614389 0.837196
H 0.413271 -2.009793 -0.443442
H 4.285406 -1.618087 -2.022539
H 5.210202 -0.840616 -0.732565
H 3.697479 -1.691306 -0.376568
H 3.544123 2.067112 -2.580902
H 5.076265 1.589476 -1.834410
H 4.451375 0.683662 -3.203505
H -1.410467 -0.028662 0.967866
H 3.969310 3.939969 0.877193
H -4.050951 -2.606891 0.746116
H -3.325072 -1.873030 2.171444
H -3.878543 0.407271 2.651538
H -4.258485 -1.033533 -1.403503
H -4.889312 2.566908 1.974741
H -5.272847 1.133509 -2.070290
H -5.588139 2.936664 -0.384520


%chk=000103613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103613

0 1
S 2.163181 -0.610012 -2.286596
O 2.225177 -2.224108 -1.847200
O 1.271736 -0.418068 2.236715
O 3.648647 3.543474 -0.233587
O 1.994640 2.912306 -1.740907
O -1.493561 -3.217929 -0.289503
N 1.558740 0.700041 0.083782
N -1.277875 -0.925299 0.070326
C 0.798517 0.150987 -1.047270
C 3.697638 0.237086 -1.034873
C 2.897383 1.254302 -0.139643
C 0.151775 -0.902500 -0.099653
C 1.046645 -0.247332 1.030362
C 4.201158 -0.962751 -0.246935
C 4.707580 0.857516 -2.002637
C 2.765734 2.627562 -0.798468
C -2.016930 -2.103013 -0.013232
C -3.532599 -1.973237 0.262863
C -4.072289 -0.570614 0.484956
C -4.052441 0.018728 1.777747
C -4.589214 0.189149 -0.597771
C -4.534935 1.331384 1.982735
C -5.073694 1.501509 -0.396194
C -5.046901 2.077528 0.895537
H 0.196734 0.851591 -1.638936
H 3.409055 1.367513 0.830637
H 0.513390 -1.927199 -0.341384
H 3.765528 -1.901710 -0.677976
H 5.300935 -1.037399 -0.298998
H 3.893059 -0.934081 0.812274
H 4.239727 1.561535 -2.713728
H 5.486758 1.405258 -1.436895
H 5.211631 0.068580 -2.586637
H -1.770307 -0.066482 0.330808
H 3.564062 4.426195 -0.688659
H -4.033566 -2.463352 -0.591509
H -3.728672 -2.616017 1.141370
H -3.665216 -0.557378 2.627289
H -4.617336 -0.254145 -1.600787
H -4.516226 1.767912 2.987503
H -5.474474 2.070805 -1.242304
H -5.425089 3.093463 1.054078


