%chk=000267787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267787

0 1
S 6.784034 -1.234401 -0.500403
S -6.765208 -1.395388 0.397096
O 1.074702 0.185022 -0.013855
O -1.079464 0.161811 0.088206
O 0.013998 -1.884252 -0.085315
C 4.678032 0.502074 -0.141419
C -4.687164 0.404397 0.250641
C 5.084771 -0.837761 -0.298877
C -5.072579 -0.950892 0.245875
C 3.306933 0.780423 -0.047612
C -3.320724 0.713576 0.191974
C 2.401092 -0.286042 -0.118245
C -2.398141 -0.339247 0.134706
C 4.158042 -1.878752 -0.368082
C -4.129504 -1.977931 0.190351
C 2.786498 -1.615059 -0.276865
C -2.762392 -1.683607 0.132413
C 5.665694 1.614476 -0.070745
C -5.692333 1.501478 0.313433
C 0.004448 -0.686323 -0.014010
C 7.330131 -1.524332 1.201279
C -7.307749 -1.490782 -1.327597
H 2.937270 1.797265 0.075129
H -2.967254 1.743500 0.192478
H 4.494323 -2.911460 -0.496701
H -4.449346 -3.023778 0.193900
H 2.057750 -2.427188 -0.329747
H -2.020878 -2.484619 0.088074
H 6.300696 1.532662 0.824794
H 6.348147 1.604415 -0.937626
H 5.194596 2.605944 -0.044393
H -5.236918 2.496587 0.402747
H -6.329836 1.515344 -0.583963
H -6.370863 1.378578 1.174721
H 6.787477 -2.354960 1.664758
H 7.209718 -0.635092 1.827293
H 8.396134 -1.784318 1.166558
H -7.201462 -0.532103 -1.844106
H -8.369585 -1.769457 -1.325143
H -6.752585 -2.252407 -1.885222


%chk=000267787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267787

0 1
S 7.005893 -1.391849 -0.434482
S -6.973704 -1.565854 0.328644
O 1.093530 -0.027038 -0.038446
O -1.090917 -0.051679 0.054123
O 0.020276 -2.135080 -0.105127
C 4.762507 0.385445 -0.186358
C -4.765816 0.272324 0.270711
C 5.214967 -0.966055 -0.263126
C -5.193143 -1.087332 0.194770
C 3.367910 0.611521 -0.111644
C -3.376111 0.531877 0.213078
C 2.456631 -0.463976 -0.120964
C -2.445470 -0.520148 0.094809
C 4.284671 -2.030079 -0.277533
C -4.243482 -2.128318 0.081834
C 2.891977 -1.803270 -0.209776
C -2.855835 -1.868876 0.033338
C 5.715256 1.564659 -0.184414
C -5.739328 1.426201 0.410802
C 0.008968 -0.890182 -0.038019
C 7.612436 -1.052619 1.326642
C -7.616576 -0.996141 -1.358333
H 2.973114 1.630730 -0.053279
H -3.000439 1.558469 0.269085
H 4.657411 -3.056975 -0.343335
H -4.596901 -3.162838 0.030671
H 2.185214 -2.632897 -0.222419
H -2.134148 -2.681246 -0.051198
H 6.065913 1.794925 0.840643
H 6.608696 1.347065 -0.795174
H 5.225102 2.473023 -0.573926
H -5.275369 2.276793 0.938542
H -6.068062 1.795516 -0.580318
H -6.642511 1.110994 0.961876
H 7.041160 -1.664489 2.040483
H 7.516782 0.016285 1.569819
H 8.674284 -1.345005 1.343280
H -7.543529 0.097976 -1.449577
H -8.673323 -1.304035 -1.399563
H -7.047532 -1.490422 -2.159638


