%chk=000198588.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198588

0 1
S -0.854258 0.424909 0.989801
P 0.763094 -0.325876 -0.070222
O 1.553765 -0.969805 1.235797
O 1.700488 0.964849 -0.491494
O 0.493753 -1.200810 -1.227929
C -2.327266 0.065804 -0.129334
C -2.499841 -1.426083 -0.281718
C -3.468235 0.745806 0.598687
C 2.623774 -1.883360 0.897599
C 2.090598 1.856849 0.576213
H -2.134410 0.553433 -1.114174
H -3.460639 -1.666593 -0.758233
H -1.719451 -1.876110 -0.924040
H -2.478513 -1.962389 0.676166
H -4.405272 0.644358 0.031603
H -3.297692 1.822446 0.739168
H -3.654919 0.313099 1.592197
H 3.486950 -1.330939 0.506714
H 2.292047 -2.661152 0.195899
H 2.868763 -2.335053 1.869988
H 2.487833 1.317603 1.445674
H 1.249390 2.507391 0.850530
H 2.885543 2.454022 0.104808


%chk=000198588-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198588

0 1
S -0.938460 -0.229243 1.452868
P 0.849200 -0.660311 0.105305
O 2.024329 -0.981920 1.345582
O 1.328290 0.873160 -0.556111
O 0.727277 -1.746020 -1.048929
C -2.228647 0.127302 0.040573
C -2.625782 -1.172349 -0.673493
C -3.406571 0.836921 0.730509
C 2.984959 -2.090681 1.120782
C 1.659211 1.982813 0.366551
H -1.714610 0.818022 -0.651437
H -3.355244 -0.941333 -1.474530
H -1.753650 -1.667683 -1.133582
H -3.098768 -1.877237 0.033089
H -4.176244 1.078103 -0.026846
H -3.094579 1.775573 1.220208
H -3.874105 0.183105 1.489028
H 3.692014 -1.840651 0.310159
H 2.456643 -3.028210 0.875773
H 3.517816 -2.186572 2.078327
H 2.540469 1.727344 0.979977
H 0.800892 2.217688 1.023414
H 1.881061 2.834579 -0.293518


