%chk=000244279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244279

0 1
S 2.463731 1.868239 -0.495611
S -1.981809 1.442993 0.375035
O 3.410994 0.496758 -0.722875
O -3.164057 0.308144 0.748465
O 3.809943 -2.488211 1.516389
O -4.280482 -2.652486 -1.307996
O 3.347807 2.999228 -0.496385
O 1.685725 1.618365 0.715405
O -2.653410 2.683544 0.099099
O -1.197561 0.851485 -0.707169
N 1.933058 -1.178172 1.664122
N -2.178431 -1.801608 -1.651287
C 0.353917 -2.224136 0.050146
C -0.811737 -3.207538 -0.087607
C 0.988702 -2.300872 1.448677
C -1.500223 -3.106206 -1.459220
C 3.309699 -1.376814 1.549285
C -3.550320 -1.683355 -1.436462
C 4.138867 -0.098670 1.545988
C -4.083148 -0.255868 -1.462602
C 4.549466 0.275351 0.125521
C -4.357881 0.249508 -0.050942
C 1.494115 1.747991 -1.901329
C -1.124630 1.441627 1.855981
H 0.003975 -1.189684 -0.155255
H 1.124353 -2.433943 -0.718548
H -0.452360 -4.245830 0.058153
H -1.558837 -3.034593 0.713386
H 1.530221 -3.269199 1.579702
H 0.211848 -2.255360 2.243047
H -0.762115 -3.233248 -2.281867
H -2.252142 -3.926675 -1.564975
H 1.546501 -0.234704 1.528817
H -1.575342 -0.971074 -1.565706
H 5.050934 -0.277911 2.158876
H 3.610725 0.737688 2.050842
H -5.034529 -0.258392 -2.042513
H -3.411713 0.428532 -2.020495
H 5.057972 -0.569027 -0.390307
H 5.196469 1.173654 0.105256
H -4.983844 -0.465589 0.527378
H -4.833053 1.250027 -0.058158
H 0.446663 1.396964 -1.695268
H 1.370733 2.690245 -2.458688
H 1.867300 1.018088 -2.642804
H -0.019145 1.589326 1.729426
H -1.426047 2.235791 2.559331
H -1.207002 0.499619 2.426444


%chk=000244279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244279

0 1
S 2.609949 2.089473 -0.169819
S -2.079964 1.514242 0.160901
O 3.297390 0.524692 -0.903780
O -3.483481 0.388764 0.612263
O 3.863606 -2.783606 0.971895
O -4.472515 -2.801393 -1.122466
O 3.807406 3.156855 0.034377
O 1.680888 1.713421 1.121712
O -2.627513 2.978175 -0.256634
O -1.085291 0.760943 -0.898311
N 2.196770 -1.272600 1.605303
N -2.279916 -2.026617 -1.395487
C 0.366764 -2.317342 0.242071
C -0.849673 -3.269994 0.268778
C 1.113055 -2.268819 1.597935
C -1.629887 -3.307805 -1.068224
C 3.486098 -1.599430 1.240512
C -3.650337 -1.866505 -1.380145
C 4.450803 -0.407621 1.148044
C -4.140579 -0.440426 -1.682196
C 4.591419 0.102079 -0.298224
C -4.570956 0.293473 -0.399998
C 1.496387 2.517007 -1.639576
C -1.323704 1.487224 1.896643
H 0.042732 -1.291207 -0.021975
H 1.081909 -2.641351 -0.538749
H -0.506415 -4.300034 0.493886
H -1.548566 -2.979272 1.078623
H 1.566603 -3.252003 1.814310
H 0.403634 -2.030115 2.415055
H -0.941837 -3.587419 -1.890863
H -2.435211 -4.061002 -1.021069
H 1.947614 -0.275938 1.660318
H -1.698224 -1.186403 -1.497281
H 5.445799 -0.761589 1.472657
H 4.152092 0.421048 1.816565
H -5.034685 -0.532439 -2.325396
H -3.386875 0.152551 -2.231142
H 4.896855 -0.713102 -0.979064
H 5.316684 0.935176 -0.363352
H -5.332887 -0.288797 0.149542
H -4.962251 1.305374 -0.617851
H 0.691689 1.764473 -1.629365
H 1.120356 3.530975 -1.440574
H 2.142225 2.468909 -2.525483
H -0.287885 1.844626 1.776014
H -1.961781 2.140411 2.505697
H -1.374392 0.436942 2.214628


