%chk=000252543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252543

0 1
S 0.380809 1.585623 1.974955
S -0.028377 -1.909179 -0.880059
O 1.024666 2.508009 2.897395
O -0.465281 0.542537 2.507411
O 0.690369 -3.066958 -0.366014
O 0.061809 -1.642607 -2.304500
N 1.813616 0.869716 1.251525
N 0.548033 -0.558979 -0.011482
N -2.221823 4.652006 -2.330042
N -5.729035 -2.104182 0.672274
C -0.376037 2.456445 0.730757
C 1.744756 -0.197221 0.342739
C 3.060221 -0.745688 -0.102488
C -1.674840 -1.947412 -0.409215
C -1.378846 1.867788 -0.058604
C -0.002217 3.790408 0.488159
C -2.648987 -2.279268 -1.363000
C -2.062521 -1.674086 0.912621
C 3.985165 0.099563 -0.736467
C 3.364955 -2.097367 0.103542
C -1.987259 2.577901 -1.083594
C -0.590319 4.524066 -0.529332
C -1.592854 3.916608 -1.332847
C -3.990843 -2.359890 -1.016195
C -3.399649 -1.742856 1.285238
C -4.376330 -2.090827 0.321749
C 5.217390 -0.407742 -1.150937
C 4.604627 -2.597194 -0.309321
C 5.529275 -1.755844 -0.933041
H 2.743055 1.155219 1.588430
H -1.688769 0.832014 0.137921
H 0.764063 4.259939 1.118878
H -2.348782 -2.474354 -2.400508
H -1.313938 -1.380898 1.669246
H 3.736827 1.145138 -0.916753
H 2.624369 -2.771809 0.558711
H -2.757005 2.106802 -1.688728
H -0.295956 5.554220 -0.703796
H -4.734814 -2.617897 -1.762744
H -3.685541 -1.517918 2.309602
H 5.934382 0.242970 -1.648272
H 4.838616 -3.649917 -0.152062
H 6.492191 -2.149273 -1.257354
H -2.811401 4.190393 -3.001594
H -1.847649 5.539640 -2.617067
H -6.388311 -2.559062 0.063214
H -5.980211 -2.117576 1.647347


%chk=000252543-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000252543

0 1
S 0.909539 2.064001 2.104968
S 0.226003 -2.178609 -0.365185
O 1.858174 3.317107 2.529042
O 0.153006 1.184252 3.230206
O 0.623875 -3.497141 0.516646
O 0.647234 -2.102707 -1.940586
N 2.194907 1.029096 1.189684
N 0.682807 -0.628336 0.622298
N -2.953578 3.942447 -2.140431
N -5.795528 -1.545697 -0.071382
C -0.271849 2.607577 0.780064
C 1.943405 -0.200022 0.593255
C 3.165879 -0.820892 -0.017660
C -1.621703 -1.945505 -0.262158
C -1.390376 1.806840 0.484448
C -0.014752 3.838925 0.148149
C -2.327853 -1.684974 -1.447898
C -2.257170 -2.077096 0.986435
C 4.037438 -0.010697 -0.794498
C 3.478064 -2.188297 0.202152
C -2.287875 2.260698 -0.494856
C -0.918017 4.284957 -0.829895
C -2.064502 3.501096 -1.169542
C -3.727808 -1.553240 -1.384697
C -3.654144 -1.934034 1.048228
C -4.411371 -1.675078 -0.136650
C 5.204917 -0.566394 -1.357490
C 4.653129 -2.731937 -0.358740
C 5.517562 -1.928049 -1.136751
H 3.144466 1.289903 1.484569
H -1.543980 0.854584 0.998242
H 0.857699 4.435288 0.433599
H -1.785352 -1.601836 -2.395662
H -1.675554 -2.291075 1.888129
H 3.779133 1.037287 -0.983106
H 2.805466 -2.819723 0.791959
H -3.159460 1.646580 -0.747931
H -0.743755 5.242456 -1.333714
H -4.298476 -1.368886 -2.302641
H -4.167124 -2.031014 2.011961
H 5.863955 0.057412 -1.970900
H 4.887804 -3.788091 -0.190035
H 6.425094 -2.360102 -1.572760
H -3.769481 3.390774 -2.389716
H -2.801986 4.820521 -2.628838
H -6.348292 -1.417866 -0.914151
H -6.287973 -1.663502 0.809537


