%chk=000240522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240522

0 1
S -3.032694 -0.566422 -0.240747
O -4.369135 0.038595 -1.097664
O -3.561578 -0.879322 1.053739
O -2.462279 -1.577785 -1.082728
N -0.772356 0.550618 0.172132
C 0.133790 0.162295 -0.958873
C -2.122035 0.949770 -0.294574
C 1.549292 0.064697 -0.447715
C 2.553446 0.879829 -0.989111
C 1.865812 -0.852652 0.565747
C 3.866469 0.773083 -0.520783
C 3.178600 -0.951869 1.032700
C 4.180805 -0.140572 0.489882
H 0.068908 0.848944 -1.830574
H -0.205736 -0.842520 -1.330850
H -2.166305 1.421860 -1.302673
H -2.568373 1.712752 0.384412
H -0.348996 1.317457 0.709354
H 2.318727 1.592681 -1.776574
H 1.081550 -1.483490 0.987366
H 4.645761 1.403675 -0.945516
H 3.421434 -1.664636 1.819612
H 5.203570 -0.221742 0.852870
H -5.181275 -0.478947 -1.073731


%chk=000240522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240522

0 1
S -2.990526 -0.621298 0.534623
O -2.428623 -0.930621 -1.350911
O -4.253838 -1.624128 0.768148
O -1.647576 -1.000600 1.411811
N -0.810683 1.470752 -0.086126
C -0.026599 0.806982 -1.174102
C -2.096489 1.780048 -0.166905
C 1.306941 0.308425 -0.650225
C 2.521661 0.759105 -1.223806
C 1.338446 -0.642084 0.406824
C 3.760233 0.268567 -0.751709
C 2.580122 -1.119590 0.882695
C 3.791136 -0.670104 0.305370
H 0.107883 1.537738 -1.992519
H -0.679192 -0.026057 -1.534954
H -2.611532 1.683243 -1.125171
H -2.584786 2.268435 0.679406
H -0.345817 1.499367 0.831505
H 2.501047 1.490755 -2.041433
H 0.394396 -1.004740 0.840508
H 4.694850 0.618659 -1.203636
H 2.600014 -1.852159 1.697092
H 4.750676 -1.050337 0.673390
H -2.594342 -1.894057 -1.554175


