%chk=000257517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257517

0 1
S 2.464586 -0.488951 -2.711734
S -2.513373 -0.379610 2.736690
S 0.452299 -0.870856 -2.139970
S -0.498986 -0.818220 2.212953
S -0.299448 0.601637 -0.928428
S 0.308770 0.605652 0.979884
O 2.522385 0.848909 -3.220545
O 2.701476 -1.629963 -3.547627
O -2.789235 -1.493303 3.596950
O -2.553204 0.972068 3.209257
C 3.289785 -0.606147 -1.224776
C -3.309542 -0.519521 1.236186
C 4.601498 -0.793872 1.249186
C -4.567796 -0.746179 -1.262173
C 3.580514 -1.863227 -0.675200
C -3.606343 -1.784860 0.709083
C 3.670896 0.556718 -0.538853
C -3.657358 0.632311 0.514839
C 4.232226 -1.958989 0.552036
C -4.230784 -1.899956 -0.530503
C 4.323129 0.466467 0.688019
C -4.282467 0.522813 -0.724505
C 5.297902 -0.892828 2.562730
C -5.206019 -0.866766 -2.602914
H 3.298727 -2.777053 -1.211369
H -3.350439 -2.689860 1.272458
H 3.458698 1.542758 -0.970836
H -3.440043 1.625026 0.928597
H 4.450213 -2.938695 0.975218
H -4.450799 -2.886072 -0.937405
H 4.612099 1.373623 1.217090
H -4.542813 1.421365 -1.282309
H 5.064530 -0.048675 3.228312
H 5.036523 -1.808958 3.112407
H 6.391291 -0.901250 2.426852
H -5.864962 -0.018892 -2.837991
H -4.437144 -0.901189 -3.393813
H -5.808792 -1.780054 -2.707093


%chk=000257517-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257517

0 1
S 2.817093 -1.260560 -2.913091
S -2.862673 -1.150069 2.947763
S 0.583890 -2.402102 -2.163452
S -0.633933 -2.327593 2.239088
S -0.407846 -0.772736 -1.137292
S 0.370068 -0.740048 1.161079
O 2.461003 0.161532 -3.632319
O 3.686498 -2.422865 -3.661023
O -3.753718 -2.292166 3.701331
O -2.503386 0.279441 3.650306
C 3.602963 -0.870412 -1.251215
C -3.617712 -0.780615 1.267358
C 4.739930 -0.295513 1.238700
C -4.706299 -0.238842 -1.251360
C 4.309232 -1.891672 -0.594763
C -4.328913 -1.804242 0.619910
C 3.433455 0.423158 -0.729028
C -3.425142 0.501341 0.725011
C 4.881020 -1.585435 0.658467
C -4.878938 -1.513599 -0.646579
C 4.015203 0.697899 0.527908
C -3.985451 0.760501 -0.545039
C 5.376185 0.022877 2.577640
C -5.264963 0.042278 -2.632587
H 4.422684 -2.880894 -1.049344
H -4.467782 -2.780983 1.094040
H 2.886161 1.185145 -1.292277
H -2.882691 1.268832 1.285468
H 5.441555 -2.360482 1.193081
H -5.448342 -2.288474 -1.171911
H 3.900648 1.697500 0.961874
H -3.858039 1.752760 -0.992010
H 4.798511 0.782670 3.131393
H 5.459900 -0.875696 3.212430
H 6.398810 0.424047 2.438405
H -5.521739 1.108026 -2.758680
H -4.520519 -0.210413 -3.412187
H -6.168725 -0.557194 -2.836393


