%chk=000268560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268560

0 1
S 3.898902 -1.764528 -0.273376
O -2.782552 -2.225319 0.234471
O -5.935623 1.403733 -0.948521
O -4.221915 2.620693 -0.186849
C 1.635917 -0.447217 -0.049846
C -2.672476 0.144185 -0.063720
C -4.202107 0.153231 0.072799
C 2.696953 0.560802 -0.023743
C -0.596036 -1.365652 -0.009756
C 2.143946 -1.764571 -0.181528
C 0.255584 -0.252649 0.036457
C -2.085229 -1.244771 0.077498
C 3.987289 -0.011420 -0.137137
C -0.065077 -2.665393 -0.134691
C 1.313206 -2.876350 -0.224585
C -4.667185 -0.137831 1.498524
C 2.575914 1.949170 0.094065
C 5.142354 0.758245 -0.135585
C -4.713587 1.526205 -0.329220
C 3.734369 2.732620 0.096560
C 5.003242 2.146393 -0.016762
H -2.372262 0.566840 -1.047828
H -2.226855 0.828343 0.692469
H -4.641073 -0.622436 -0.614582
H -0.139460 0.757544 0.142683
H -0.754635 -3.516866 -0.157244
H 1.715976 -3.883715 -0.322956
H -5.762161 -0.127303 1.575456
H -4.334642 -1.143847 1.803778
H -4.270015 0.578525 2.226495
H 1.596116 2.413752 0.182426
H 6.127634 0.303589 -0.223538
H 3.650355 3.815479 0.187919
H 5.891127 2.777935 -0.012336
H -6.326093 2.279184 -1.212694


%chk=000268560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268560

0 1
S 3.997263 -1.845151 -0.056522
O -2.843619 -2.244491 -0.233339
O -6.190536 1.551267 -0.267026
O -4.159101 2.481008 -0.875180
C 1.673088 -0.455969 -0.068563
C -2.689358 0.183615 -0.070002
C -4.225019 0.175733 0.057224
C 2.732952 0.554126 -0.039402
C -0.601437 -1.376984 -0.114089
C 2.183092 -1.791716 -0.082509
C 0.273295 -0.262966 -0.082418
C -2.092757 -1.225675 -0.138865
C 4.040166 -0.019269 -0.028786
C -0.058770 -2.698317 -0.132350
C 1.329066 -2.914791 -0.114571
C -4.699900 -0.188254 1.490076
C 2.612588 1.966832 -0.021813
C 5.206248 0.768815 -0.000607
C -4.795320 1.509337 -0.403646
C 3.770714 2.768228 0.006360
C 5.060633 2.173816 0.017240
H -2.388908 0.741192 -0.980129
H -2.242803 0.739956 0.776853
H -4.628628 -0.602365 -0.622620
H -0.125152 0.756777 -0.075169
H -0.760659 -3.537790 -0.161695
H 1.733409 -3.931497 -0.126289
H -5.800027 -0.201527 1.547683
H -4.321490 -1.190355 1.751234
H -4.319930 0.539890 2.230448
H 1.621728 2.434486 -0.031749
H 6.200848 0.312061 0.007037
H 3.676615 3.859093 0.019248
H 5.953170 2.808205 0.039014
H -6.521559 2.429279 -0.599973


