%chk=000244692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244692

0 1
S -0.137254 -1.214715 0.420109
O -0.293873 -1.686067 1.777403
O -0.523937 -2.080194 -0.680982
O 1.460145 2.695221 1.190707
C 1.527697 -0.772119 0.166124
C -1.018729 0.308091 0.280107
C 1.985970 0.538927 0.344740
C -0.400562 1.480405 0.421681
C 1.053511 1.660249 0.709253
C -2.467031 0.199784 0.054348
C 2.428689 -1.770661 -0.201163
C 3.335913 0.844566 0.174552
C 4.250363 -0.165213 -0.190222
C 3.785333 -1.472093 -0.381918
C -2.974095 -0.580711 -0.998304
C -3.353636 0.895147 0.896580
C 5.691580 0.173413 -0.362397
C -4.352876 -0.651723 -1.209832
C -4.730980 0.811797 0.681801
C -5.232630 0.042950 -0.373528
H -0.947736 2.431638 0.352388
H 2.082203 -2.798784 -0.359827
H 3.681780 1.869865 0.334843
H 4.476200 -2.264505 -0.669796
H -2.294262 -1.149147 -1.644830
H -2.967347 1.486587 1.725880
H 6.297418 -0.678390 -0.700559
H 5.833511 0.979540 -1.098600
H 6.134064 0.524310 0.583737
H -4.741591 -1.257958 -2.027709
H -5.415031 1.345685 1.340092
H -6.306907 -0.018998 -0.540178


%chk=000244692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244692

0 1
S -0.154117 -1.230166 -0.481017
O -0.541519 -2.384832 0.608206
O -0.383686 -1.579468 -2.067764
O 1.508028 2.931473 0.322647
C 1.646558 -0.736901 -0.225652
C -1.118066 0.393788 -0.071511
C 2.030294 0.601599 0.011832
C -0.393096 1.537191 0.115453
C 1.070453 1.747040 0.149109
C -2.573295 0.228126 -0.002436
C 2.572177 -1.787565 -0.320271
C 3.416852 0.865206 0.150462
C 4.386862 -0.159625 0.058913
C 3.944787 -1.489489 -0.174977
C -3.252534 -0.771827 -0.758991
C -3.331624 1.092486 0.843609
C 5.861411 0.157423 0.219853
C -4.653541 -0.890557 -0.674492
C -4.731284 0.966915 0.918557
C -5.398450 -0.024408 0.159163
H -0.949644 2.473552 0.265234
H 2.234448 -2.813349 -0.496966
H 3.706914 1.906098 0.334568
H 4.679399 -2.299308 -0.244989
H -2.686417 -1.429754 -1.427629
H -2.819105 1.835212 1.464727
H 6.492518 -0.721714 0.007861
H 6.171144 0.972325 -0.459044
H 6.083900 0.491934 1.250413
H -5.165052 -1.659401 -1.262676
H -5.301109 1.629784 1.578278
H -6.487310 -0.124889 0.224031


