%chk=000213129.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213129

0 1
S -3.359811 -1.185405 -1.287149
O 1.952701 -2.870831 2.443262
N 4.165794 0.339122 -0.061380
N 3.064381 -0.282908 0.364760
C 4.682653 2.705280 -0.285508
C 5.779215 2.059952 0.582009
C 3.900540 1.545114 -0.920621
C 5.376090 0.589759 0.795821
C 3.064831 -1.126141 1.364987
C 1.862921 -1.966417 1.634760
C 0.580013 -1.706261 0.912861
C 0.093528 -0.409052 0.710583
C -0.161427 -2.812014 0.461882
C -1.842565 -1.317749 -0.399640
C -1.124733 -0.210640 0.051446
C -1.374198 -2.622111 -0.201176
C -3.950657 0.448463 -0.981005
C -4.116268 1.298858 -2.075680
C -4.319198 0.837957 0.308671
C -4.670649 2.567735 -1.871554
C -4.864669 2.110846 0.503620
C -5.041816 2.972720 -0.585094
H 4.017920 3.336889 0.331083
H 5.114533 3.367188 -1.054909
H 6.761564 2.123907 0.080399
H 5.887081 2.588660 1.544462
H 2.816799 1.759048 -1.016935
H 4.279192 1.301733 -1.937852
H 6.172845 -0.107822 0.460721
H 5.177957 0.372363 1.865404
H 3.895473 -1.341396 2.048365
H 0.662245 0.451651 1.064334
H 0.215153 -3.821754 0.642249
H -1.493527 0.802474 -0.106034
H -1.944246 -3.483963 -0.549295
H -3.820769 0.984808 -3.077711
H -4.187716 0.161581 1.154480
H -4.811070 3.239863 -2.716589
H -5.156392 2.428736 1.503446
H -5.471518 3.961462 -0.429775


%chk=000213129-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213129

0 1
S -3.853256 -1.502436 -0.947355
O 2.227550 -3.181213 1.674665
N 4.048457 0.917660 0.417184
N 2.974303 0.114001 0.458723
C 5.199703 2.984644 0.354411
C 6.243200 1.835571 0.452615
C 3.930257 2.275526 -0.166628
C 5.417332 0.609918 0.913184
C 3.069462 -1.101730 1.000494
C 1.956112 -2.063747 1.102114
C 0.562288 -1.820478 0.586009
C 0.133620 -0.639787 -0.082334
C -0.383814 -2.864652 0.786670
C -2.122194 -1.555828 -0.320746
C -1.193994 -0.511193 -0.538761
C -1.712996 -2.738051 0.346163
C -4.257357 0.297591 -0.910047
C -4.827662 0.878261 -2.066557
C -4.089176 1.063609 0.268338
C -5.234829 2.233169 -2.041088
C -4.480327 2.420850 0.279353
C -5.058211 3.008169 -0.872132
H 5.010414 3.415107 1.354385
H 5.528828 3.797724 -0.313265
H 6.686333 1.639216 -0.540357
H 7.064090 2.066539 1.151264
H 2.989790 2.745491 0.166006
H 3.918872 2.220687 -1.274050
H 5.785483 -0.341491 0.481832
H 5.405734 0.496474 2.017313
H 4.004276 -1.495473 1.432624
H 0.850393 0.166803 -0.249474
H -0.045273 -3.768014 1.304671
H -1.504849 0.397798 -1.063831
H -2.433036 -3.543879 0.525400
H -4.944563 0.279451 -2.975778
H -3.657627 0.603013 1.162976
H -5.679738 2.680241 -2.936947
H -4.346464 3.013517 1.191128
H -5.368930 4.058646 -0.856477


