%chk=000219214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219214

0 1
S -0.534267 3.221729 0.662889
S 0.515951 3.113477 -1.097135
O -5.113422 -2.771042 -1.071292
O 5.049187 -2.669682 1.332890
O -3.386422 -3.104256 0.314143
O 3.318325 -3.149285 -0.003920
C -3.693934 -0.026706 0.512854
C 3.650142 -0.119255 -0.563568
C -4.771402 -1.077371 0.521349
C 4.719356 -1.171975 -0.447545
C -2.418928 -0.313299 1.025752
C 2.372669 -0.454341 -1.039624
C -3.981476 1.253504 0.015308
C 3.947970 1.208426 -0.220452
C -1.735950 1.951801 0.556397
C 1.707711 1.855606 -0.841085
C -1.435274 0.677473 1.046687
C 1.396807 0.534725 -1.177725
C -2.998255 2.246896 0.035531
C 2.972558 2.200180 -0.358163
C -4.296936 -2.390966 -0.030075
C 4.234827 -2.407877 0.254223
H -5.673602 -0.736224 -0.040805
H -5.122703 -1.236575 1.570073
H 5.624282 -0.774063 0.071253
H 5.069275 -1.456174 -1.469980
H -2.192693 -1.317716 1.396578
H 2.138376 -1.493690 -1.289459
H -4.966027 1.479272 -0.391063
H 4.934470 1.472847 0.156836
H -0.443473 0.451922 1.445234
H 0.403067 0.271522 -1.547302
H -3.221299 3.241736 -0.355114
H 3.203605 3.232384 -0.087547
H -4.846983 -3.641518 -1.474208
H 4.776168 -3.484685 1.835167


%chk=000219214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219214

0 1
S -0.511327 3.217348 0.836944
S 0.487995 3.086558 -1.272662
O -5.329889 -2.118447 -1.546194
O 5.290845 -1.980312 1.721129
O -3.644393 -3.165442 -0.336640
O 3.567802 -3.122698 0.660087
C -3.760167 -0.133392 0.670877
C 3.713485 -0.243789 -0.706536
C -4.832781 -1.223072 0.640401
C 4.778699 -1.329102 -0.547033
C -2.445674 -0.429873 1.115976
C 2.398282 -0.581312 -1.119209
C -4.066666 1.185585 0.251419
C 4.027729 1.112983 -0.441653
C -1.773687 1.894276 0.731250
C 1.741416 1.776236 -1.009600
C -1.457759 0.576411 1.149369
C 1.417379 0.420697 -1.272667
C -3.081387 2.195868 0.278479
C 3.049697 2.119764 -0.589718
C -4.516424 -2.274070 -0.415903
C 4.457519 -2.246102 0.626393
H -5.822593 -0.789113 0.432699
H -4.868128 -1.744027 1.614061
H 5.771961 -0.880897 -0.393345
H 4.808986 -1.962165 -1.452131
H -2.195841 -1.450133 1.427849
H 2.142215 -1.629217 -1.311282
H -5.077501 1.423415 -0.099342
H 5.039282 1.383514 -0.117562
H -0.445785 0.351076 1.500775
H 0.404609 0.162418 -1.598326
H -3.317645 3.213818 -0.046914
H 3.292166 3.167052 -0.384062
H -5.077041 -2.795805 -2.231726
H 5.036322 -2.571253 2.481897


