%chk=000266514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266514

0 1
S -4.320610 -0.243898 1.968600
S 4.061553 -2.997778 -0.708261
O -2.784965 -0.976882 1.947904
O 2.497626 -3.021437 -1.383979
O -5.176647 -1.141477 2.691061
O -4.609971 0.071572 0.591464
O 4.807625 -4.009721 -1.395430
O 3.855348 -3.082406 0.716340
O -1.236722 2.408029 1.857345
O 2.371303 3.474503 -3.110062
N -0.120997 -1.653597 -0.340546
N 0.098709 3.212382 0.147777
N 1.684471 3.383030 -2.131995
C -0.853936 -1.807065 0.938346
C 0.154030 -2.908309 -1.081479
C 0.332832 -0.421168 -0.780133
C -2.371347 -1.630530 0.738511
C 1.439692 -3.605950 -0.608355
C -0.006351 0.763523 -0.078606
C 1.139041 -0.324119 -1.961900
C 0.429819 2.006789 -0.530806
C 1.558754 0.905990 -2.403095
C 1.241257 2.103307 -1.709452
C -3.945748 1.159519 2.896595
C 4.545312 -1.411453 -1.195164
C -0.716840 3.353426 1.296258
C -0.873544 4.776269 1.749232
H -0.628146 -2.795745 1.393106
H -0.503393 -1.049458 1.688873
H -0.715121 -3.595876 -0.970272
H 0.244842 -2.692449 -2.177129
H -2.616786 -0.995727 -0.138896
H -2.904593 -2.594576 0.665597
H 1.628811 -3.466468 0.476328
H 1.419780 -4.686552 -0.850011
H -0.633129 0.706489 0.820015
H 1.414317 -1.231952 -2.502451
H 2.163871 0.997875 -3.313023
H 0.486654 4.074519 -0.269640
H -4.585768 2.025300 2.670980
H -4.009977 1.004105 3.984823
H -2.907321 1.531077 2.721757
H 5.249662 -1.403371 -2.043404
H 3.694703 -0.777584 -1.516300
H 5.034350 -0.834612 -0.392633
H 0.087886 5.258694 1.978834
H -1.477499 4.818735 2.670927
H -1.387337 5.400327 1.002750


%chk=000266514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266514

0 1
S -4.161287 -0.178520 2.143674
S 3.549179 -2.562062 0.237874
O -2.772318 -1.477914 1.926400
O 2.562449 -3.037244 -1.316356
O -5.453560 -0.932677 2.747175
O -4.261151 0.656830 0.754167
O 4.703809 -3.650933 0.530923
O 2.465930 -2.215343 1.396616
O -1.046590 2.342207 1.830216
O 2.192629 3.614330 -3.374976
N -0.112627 -1.744737 -0.673558
N 0.130269 3.134202 -0.034184
N 1.510627 3.434241 -2.283524
C -0.784610 -1.907203 0.633457
C 0.093288 -2.976814 -1.456037
C 0.310397 -0.490515 -1.100108
C -2.300623 -1.590231 0.540744
C 1.332044 -3.789537 -1.016883
C -0.001422 0.667692 -0.315174
C 1.061326 -0.321769 -2.324553
C 0.407081 1.941956 -0.736164
C 1.461741 0.946754 -2.735532
C 1.149748 2.102545 -1.963374
C -3.300123 0.847339 3.487268
C 4.298456 -0.998593 -0.525913
C -0.561971 3.306295 1.156908
C -0.718100 4.753427 1.604790
H -0.641132 -2.944891 0.976629
H -0.313021 -1.261179 1.391132
H -0.794000 -3.627341 -1.327037
H 0.157632 -2.743705 -2.530234
H -2.468967 -0.637059 -0.000142
H -2.851733 -2.394716 0.016437
H 1.267868 -4.009873 0.067789
H 1.386680 -4.744172 -1.572543
H -0.561722 0.604124 0.615127
H 1.354688 -1.190812 -2.916211
H 2.033176 1.093275 -3.658906
H 0.509252 3.959699 -0.527769
H -4.065455 1.539362 3.867025
H -2.978659 0.119748 4.244507
H -2.463578 1.360568 2.987028
H 4.869841 -1.343800 -1.397767
H 3.451856 -0.359363 -0.807283
H 4.938038 -0.559434 0.252177
H -0.128294 5.464968 1.003437
H -0.417847 4.838844 2.662516
H -1.783713 5.037330 1.540612


