%chk=000224376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224376

0 1
S -2.563579 3.072430 -0.205920
O -3.948452 -1.845096 -0.481527
O 1.679641 -2.459616 1.001030
N -2.275115 0.454398 -0.344053
N 3.317963 -1.072087 0.159595
C -1.739884 -0.895738 -0.011849
C -3.397034 0.387501 -1.324967
C -2.883365 -1.796202 0.485698
C -4.491728 -0.542538 -0.781628
C -1.859570 1.612411 0.211115
C -0.739985 1.629446 1.216286
C 0.604793 1.482762 0.551398
C 1.316769 0.285610 0.694747
C 1.138158 2.537541 -0.201102
C 2.561258 0.141533 0.064387
C 2.388923 2.390841 -0.807345
C 3.110659 1.202689 -0.684747
C 2.826636 -2.312645 0.624729
C 3.845869 -3.416359 0.605153
H -0.922851 -0.852670 0.743555
H -1.281066 -1.330249 -0.932499
H -2.995086 0.001389 -2.289808
H -3.820997 1.400349 -1.539768
H -3.287502 -1.457706 1.455584
H -2.571691 -2.855742 0.551995
H -5.254526 -0.775305 -1.547070
H -4.975174 -0.131636 0.122362
H -0.764397 2.599200 1.778642
H -0.891914 0.862119 2.006495
H 0.903975 -0.536455 1.287860
H 0.572636 3.463875 -0.320260
H 2.805033 3.214658 -1.389026
H 4.077264 1.105033 -1.169838
H 4.280322 -1.021045 -0.179650
H 4.204308 -3.643308 -0.407874
H 3.397056 -4.345576 0.997967
H 4.719353 -3.197413 1.234131


%chk=000224376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224376

0 1
S -2.582217 3.252973 0.388331
O -4.271239 -1.611546 -0.849328
O 2.301528 -2.522132 1.713330
N -2.488041 0.607518 -0.297942
N 3.524167 -1.153925 0.245633
C -1.983062 -0.789808 -0.319857
C -3.665637 0.781546 -1.185923
C -3.121064 -1.765674 0.051845
C -4.765833 -0.222782 -0.796590
C -1.956031 1.644340 0.429864
C -0.729064 1.350496 1.300966
C 0.573722 1.194680 0.507098
C 1.409500 0.078854 0.746033
C 0.962302 2.183417 -0.431476
C 2.638129 -0.054668 0.047084
C 2.187199 2.049494 -1.120761
C 3.025309 0.940313 -0.889166
C 3.343435 -2.297152 1.029248
C 4.527062 -3.265304 0.986113
H -1.131426 -0.917152 0.361476
H -1.630229 -1.014404 -1.346005
H -3.346407 0.603246 -2.231634
H -4.017520 1.823126 -1.086804
H -3.436227 -1.593591 1.104198
H -2.787532 -2.809694 -0.065182
H -5.602295 -0.180800 -1.512614
H -5.139911 0.005664 0.224228
H -0.637908 2.210081 1.985342
H -0.893458 0.455443 1.931181
H 1.133155 -0.689948 1.472000
H 0.309927 3.045383 -0.609454
H 2.493816 2.814228 -1.842806
H 3.974134 0.845446 -1.433409
H 4.405645 -1.099907 -0.270983
H 4.698073 -3.645384 -0.038324
H 4.306696 -4.116636 1.645516
H 5.457999 -2.779342 1.332570


