%chk=000198772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198772

0 1
S -0.834096 2.021441 0.019364
O 5.178250 0.531831 -0.670676
O 1.716035 0.354065 0.174656
O -4.195653 0.165312 0.072154
N -2.572029 1.903490 -0.004569
C 3.982008 0.842471 0.108149
C 5.333552 0.798425 0.761171
C 3.013747 -0.311095 0.256096
C 0.593004 -0.437856 0.200427
C -0.600594 0.297626 0.131716
C -1.838844 -0.372869 0.149596
C 0.545055 -1.831577 0.286383
C -1.901573 -1.768649 0.234886
C -2.920509 0.632672 0.066997
C -0.704959 -2.480032 0.301811
C -5.249104 1.173769 -0.013514
H 3.511490 1.802856 -0.147994
H 5.868162 1.718377 0.991020
H 5.651336 -0.062284 1.344393
H 3.085548 -0.821871 1.231606
H 3.112960 -1.032697 -0.577541
H 1.451122 -2.427130 0.338332
H -2.867300 -2.271032 0.247006
H -0.728071 -3.568760 0.367799
H -5.189873 1.845946 0.848680
H -6.150240 0.551907 0.007308
H -5.152924 1.731762 -0.950654


%chk=000198772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198772

0 1
S -0.767769 2.080004 0.031531
O 5.570699 0.091097 0.193615
O 1.827476 0.303570 0.014466
O -4.196512 0.168666 0.199300
N -2.586468 1.913187 0.093844
C 4.194697 0.613218 -0.143811
C 4.898261 1.125329 1.072325
C 3.105859 -0.430044 -0.030691
C 0.651200 -0.456045 0.072112
C -0.555229 0.281523 0.083802
C -1.811378 -0.374143 0.143588
C 0.578481 -1.866214 0.120286
C -1.887155 -1.789534 0.191010
C -2.890738 0.610746 0.145137
C -0.686083 -2.518557 0.178748
C -5.235238 1.223442 0.197880
H 4.157687 1.246529 -1.038564
H 5.358929 2.119302 1.047560
H 4.593515 0.759013 2.060372
H 3.241608 -1.030753 0.890445
H 3.119509 -1.106663 -0.908850
H 1.490320 -2.470911 0.115465
H -2.862171 -2.282164 0.236032
H -0.712416 -3.612654 0.214733
H -5.108484 1.885028 1.072040
H -6.187098 0.676003 0.245500
H -5.165003 1.827125 -0.723272


