%chk=000241357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241357

0 1
S 2.322146 0.041663 -0.071741
O 3.447170 -0.398720 -0.867653
O 2.225081 1.439510 0.288296
N 0.937272 -0.376014 -1.027640
N -0.786181 -2.451594 -0.117891
C -0.358989 -0.042504 -0.484282
C -1.227187 -1.103150 -0.103141
C -0.774641 1.288662 -0.332362
C 2.157379 -0.941263 1.351275
C -2.509741 -0.792562 0.396622
C -2.042162 1.578120 0.172997
C -2.905636 0.536396 0.531162
H 0.990256 -0.202838 -2.041503
H -0.088858 2.101622 -0.592687
H 2.118242 -0.348784 2.279311
H 1.241801 -1.561232 1.369939
H 2.987261 -1.653559 1.478512
H -3.186095 -1.592337 0.688943
H -2.355730 2.613273 0.290446
H -3.897408 0.765877 0.921561
H -1.520264 -3.142615 -0.206233
H -0.021816 -2.644753 -0.759530


%chk=000241357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241357

0 1
S 2.274623 0.079558 0.449463
O 3.604513 0.650746 -0.325756
O 1.605745 0.920837 1.687649
N 0.718526 -0.426071 -1.075022
N -0.844500 -2.227846 0.221564
C -0.534386 0.017990 -0.651518
C -1.353751 -0.957272 0.046026
C -1.050232 1.338225 -0.850107
C 2.739104 -1.638725 1.150639
C -2.648738 -0.580500 0.503274
C -2.334080 1.686844 -0.412107
C -3.126485 0.720143 0.273362
H 1.153283 0.216970 -1.768668
H -0.413450 2.077907 -1.350992
H 3.559349 -1.461133 1.860713
H 1.833548 -2.019960 1.642102
H 3.055120 -2.249091 0.293929
H -3.271376 -1.313340 1.029627
H -2.721559 2.696724 -0.576569
H -4.125565 0.994764 0.630013
H -1.397969 -2.967286 0.645687
H 0.030180 -2.446286 -0.258909


