%chk=000286933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286933

0 1
S -0.119678 1.166803 -0.976813
O -0.961321 0.608872 0.393264
O -0.460004 2.552839 -1.141886
O -0.335147 0.205625 -2.019255
O 5.262554 -1.633431 0.611196
O 3.556052 -2.549508 -0.357491
N 4.138608 -1.602872 0.140472
C -2.064326 -1.991011 0.457384
C -2.934082 -0.751735 0.406588
C -2.348109 0.526297 0.319540
C -1.899915 -2.549751 -0.961054
C -2.622011 -3.048583 1.416436
C -4.334228 -0.809321 0.410401
C -3.096508 1.706013 0.238919
C 1.472955 1.016090 -0.320214
C -5.103970 0.356071 0.336057
C -4.489273 1.609809 0.249755
C 2.134773 -0.211189 -0.369593
C 2.084886 2.131569 0.266519
C 3.422880 -0.307536 0.179394
C 3.370843 2.025490 0.808583
C 4.046902 0.806032 0.770177
H -1.051573 -1.688506 0.837855
H -2.859528 -2.846704 -1.396744
H -1.246201 -3.427259 -0.971786
H -1.457975 -1.799240 -1.636567
H -2.819128 -2.623194 2.406876
H -1.910636 -3.872257 1.544723
H -3.556992 -3.485797 1.049925
H -4.829500 -1.779010 0.466769
H -2.596980 2.673144 0.161164
H -6.190437 0.285310 0.340854
H -5.094264 2.513293 0.187890
H 1.670372 -1.097681 -0.833419
H 1.557288 3.095770 0.297130
H 3.844793 2.897740 1.263559
H 5.055280 0.702119 1.192189


%chk=000286933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286933

0 1
S 0.017920 0.961997 -1.180806
O -1.014868 0.567771 0.569318
O -0.313813 2.476394 -1.683410
O -0.042821 -0.291146 -2.222610
O 5.624840 -1.375374 1.015937
O 3.955441 -2.519579 -0.038642
N 4.470340 -1.442306 0.445477
C -2.248108 -2.070243 0.216775
C -3.043346 -0.774245 0.346084
C -2.386857 0.500850 0.471267
C -2.426960 -2.689090 -1.197878
C -2.629255 -3.087707 1.325465
C -4.458824 -0.773611 0.350722
C -3.135859 1.715967 0.553209
C 1.709680 0.971222 -0.352428
C -5.200328 0.425695 0.444931
C -4.538507 1.678043 0.545398
C 2.412612 -0.237466 -0.282318
C 2.188909 2.191523 0.153369
C 3.676950 -0.185300 0.341080
C 3.462545 2.199298 0.768526
C 4.213135 1.008947 0.870033
H -1.179481 -1.816930 0.339431
H -3.488111 -2.925818 -1.401869
H -1.847652 -3.627627 -1.273892
H -2.063304 -1.997589 -1.977587
H -2.486713 -2.658043 2.333286
H -1.996301 -3.989859 1.241300
H -3.683446 -3.410374 1.236728
H -4.993048 -1.727243 0.271558
H -2.585974 2.659655 0.627458
H -6.295439 0.388610 0.435003
H -5.117408 2.604786 0.613999
H 2.023740 -1.171644 -0.698378
H 1.592019 3.103311 0.051237
H 3.865896 3.134064 1.168773
H 5.198796 0.987361 1.342250


