%chk=000198113.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198113

0 1
S 2.008301 0.412499 1.800516
P 2.176705 0.128925 -0.070955
O -3.751828 -0.605952 0.174476
O 1.853519 1.242531 -1.211261
O 3.676528 -0.248996 -0.619008
O 1.502225 -1.369387 -0.626745
N -1.524310 0.213339 0.094607
N -0.257178 -0.045265 -0.108737
C -4.225686 0.752695 0.575679
C -5.581810 0.413969 1.171669
C -4.293075 1.617583 -0.668196
C -2.433448 -0.804455 -0.045086
C 1.313611 2.532398 -0.770291
C 4.405981 -1.282005 0.123112
C 0.154710 -1.301518 -0.464432
C -2.062105 -2.135270 -0.421790
C -0.725300 -2.397318 -0.640414
C 2.434263 3.427858 -0.282312
C 5.710772 -1.384588 -0.644098
H -3.515852 1.150048 1.333623
H -5.482617 -0.271220 2.024459
H -6.097980 1.315725 1.520349
H -6.232899 -0.084346 0.440539
H -4.820148 2.559011 -0.475131
H -3.287193 1.873923 -1.032084
H -4.812934 1.107412 -1.489193
H 0.503005 2.398361 -0.026672
H 0.879057 2.883893 -1.729536
H 3.828792 -2.225504 0.092785
H 4.561340 -0.945692 1.167085
H -2.836028 -2.896123 -0.522522
H -0.345159 -3.375664 -0.929952
H 2.154485 4.485858 -0.354662
H 2.702648 3.239599 0.767643
H 3.346650 3.289291 -0.880844
H 6.374097 -2.140251 -0.210381
H 5.529617 -1.645511 -1.696596
H 6.241445 -0.422152 -0.651042


%chk=000198113-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198113

0 1
S 2.517137 0.572580 2.038827
P 2.502658 0.192421 0.013093
O -3.931663 -0.677787 0.158735
O 2.241998 1.434976 -1.129480
O 3.933585 -0.417187 -0.707918
O 1.468606 -1.205992 -0.496138
N -1.763628 0.283014 0.113674
N -0.407622 0.119482 -0.046024
C -4.482690 0.690526 0.495077
C -5.828197 0.408111 1.165271
C -4.586889 1.523627 -0.789488
C -2.571307 -0.808937 -0.017498
C 1.467791 2.658996 -0.727779
C 4.619483 -1.574476 -0.055041
C 0.097411 -1.106334 -0.330419
C -2.080865 -2.116700 -0.322040
C -0.705177 -2.272838 -0.482877
C 2.420873 3.761003 -0.267640
C 5.987215 -1.678064 -0.722006
H -3.768621 1.162004 1.195051
H -5.696543 -0.216883 2.064824
H -6.302937 1.359429 1.465942
H -6.507659 -0.116622 0.470708
H -5.026321 2.511369 -0.558355
H -3.590456 1.687079 -1.231488
H -5.235943 1.019377 -1.527348
H 0.723964 2.377612 0.038077
H 0.940016 2.925358 -1.658531
H 4.006898 -2.479709 -0.221215
H 4.700642 -1.379766 1.032189
H -2.781560 -2.949650 -0.414725
H -0.243347 -3.235118 -0.713583
H 1.847567 4.690516 -0.088238
H 2.927514 3.480645 0.671624
H 3.183507 3.967113 -1.038152
H 6.544822 -2.533872 -0.298336
H 5.879558 -1.833324 -1.808703
H 6.572382 -0.758276 -0.555468


