%chk=000278675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278675

0 1
S 0.667898 -2.358209 0.314301
O 0.816904 -2.139985 1.977329
O -4.748007 -2.299886 0.272783
O -3.387360 2.865751 -0.427291
O 0.310078 -3.760316 0.189491
O 1.958827 -1.927688 -0.211741
N 0.987989 0.447478 -0.727607
N 5.058599 1.836457 0.075366
N -2.247891 -3.031581 0.134844
C 2.899361 1.976938 -1.076558
C -0.279643 0.056551 -0.416182
C 1.375453 1.861790 -0.991629
C -3.000547 -0.739095 -0.031059
C 3.583835 1.796722 0.292863
C -2.644732 0.613710 -0.234595
C -0.561578 -1.303854 -0.079182
C -1.939650 -1.711813 0.012043
C -1.348893 1.013664 -0.435904
C -4.392748 -1.131270 0.127776
C -3.702038 1.705456 -0.258365
C -5.446161 -0.062871 0.116465
C -5.116577 1.289840 -0.066852
C 5.751977 2.896214 0.861838
C 5.742521 0.595794 -0.109159
C -6.784060 -0.432846 0.293777
C -6.123579 2.263370 -0.071620
C 5.907053 2.570929 2.347300
C 7.155048 0.589872 -0.195056
C 5.041997 -0.612285 -0.319434
C -7.788963 0.542298 0.288948
C -7.459927 1.887563 0.106767
C 7.832515 -0.588862 -0.500560
C 5.739337 -1.780532 -0.625148
C 7.134267 -1.780452 -0.718748
H 3.316109 1.245019 -1.803183
H 3.171477 2.966416 -1.499357
H 0.913939 2.197105 -1.951326
H 0.974095 2.524253 -0.189378
H 3.267486 2.607732 0.983287
H 3.258804 0.845332 0.773892
H 1.780750 -0.239698 -0.783358
H -1.139511 2.071303 -0.610432
H 6.754586 3.064349 0.400976
H 5.188680 3.846169 0.727098
H -7.030804 -1.490642 0.435104
H -5.853166 3.313617 -0.215758
H -1.551295 -3.789729 0.131341
H -3.233881 -3.333189 0.225028
H 6.449600 3.364397 2.872675
H 6.467319 1.637482 2.495741
H 4.940409 2.445975 2.846753
H 7.718283 1.506701 -0.038255
H 3.954774 -0.665377 -0.240493
H -8.829664 0.247411 0.427828
H -8.241923 2.647105 0.102877
H 1.339265 -2.801113 2.454657
H 8.919838 -0.578847 -0.569773
H 5.180987 -2.703546 -0.789127
H 7.668538 -2.694481 -0.957421


%chk=000278675-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278675

0 1
S 1.045919 -2.334400 -0.744634
O 1.936722 -1.668608 0.745308
O -4.306382 -2.286391 0.885497
O -3.311911 2.927100 -0.653578
O 0.635146 -3.881767 -0.486912
O 2.028596 -2.025866 -2.022942
N 1.011913 0.558862 -1.693401
N 4.694516 1.595896 0.326823
N -1.878862 -2.952376 0.209664
C 2.989074 2.034119 -1.517725
C -0.178874 0.155430 -1.139419
C 1.478002 1.948738 -1.846770
C -2.734633 -0.687418 -0.037475
C 3.267979 1.707879 -0.024670
C -2.482009 0.665219 -0.427482
C -0.411935 -1.206590 -0.731698
C -1.662221 -1.665828 -0.177389
C -1.257508 1.073474 -0.958832
C -4.035052 -1.079250 0.504038
C -3.547877 1.726163 -0.305644
C -5.100943 -0.035834 0.621882
C -4.870027 1.314446 0.232633
C 5.333619 2.791541 0.911908
C 5.345891 0.351155 0.304650
C -6.368159 -0.406076 1.133921
C -5.904722 2.275653 0.357898
C 5.133408 2.933879 2.440716
C 6.593289 0.137212 0.973764
C 4.782289 -0.760035 -0.405957
C -7.393057 0.554083 1.255575
C -7.162283 1.898801 0.866928
C 7.222916 -1.123326 0.942696
C 5.426339 -2.017144 -0.425438
C 6.647663 -2.218831 0.256407
H 3.555322 1.340291 -2.168639
H 3.349511 3.052162 -1.758911
H 1.293870 2.312245 -2.877684
H 0.910614 2.600834 -1.158528
H 2.819961 2.506686 0.599066
H 2.746144 0.772567 0.253639
H 1.655483 -0.184819 -2.013680
H -1.165837 2.115252 -1.275266
H 6.411354 2.780332 0.666257
H 4.912914 3.681221 0.404925
H -6.519731 -1.449099 1.426902
H -5.695175 3.304762 0.049840
H -1.140355 -3.659665 0.110311
H -2.823552 -3.148656 0.593167
H 5.626585 3.851718 2.811186
H 5.555554 2.069557 2.981594
H 4.059787 2.998172 2.695142
H 7.068963 0.947214 1.534262
H 3.896343 -0.626678 -1.031368
H -8.371290 0.260822 1.651499
H -7.961230 2.641471 0.963128
H 2.930093 -1.808380 0.611688
H 8.174431 -1.251209 1.472355
H 4.976028 -2.829797 -1.008391
H 7.143390 -3.194318 0.241763


