%chk=000186049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186049

0 1
S 1.170257 0.138224 -2.198288
S 4.423344 0.004498 -1.094494
P 2.567597 -0.056717 -0.661192
O 2.007301 1.072489 0.398140
O 1.971903 -1.458928 -0.028827
O -4.819985 1.505452 0.358676
O -4.569113 -0.491156 1.152352
N -4.186664 0.473937 0.511279
C -0.369306 0.226652 -1.313522
C 2.981336 1.861865 1.157841
C 2.800309 -2.186526 0.935150
C -1.115201 1.398576 -1.464374
C -0.837919 -0.864777 -0.579358
C -2.852670 0.387059 -0.128562
C -2.374820 1.480719 -0.867240
C -2.095131 -0.784560 0.023295
C 2.095428 2.671407 2.084899
C 1.942022 -3.389699 1.276344
H 3.663420 1.191379 1.711031
H 3.549277 2.501892 0.455007
H 3.753272 -2.479611 0.451872
H 2.985403 -1.544195 1.815146
H -0.723962 2.246212 -2.032811
H -0.228296 -1.770304 -0.460112
H -2.987428 2.383936 -0.965259
H -2.493296 -1.620828 0.608571
H 2.686044 3.348372 2.713064
H 1.374626 3.276594 1.516422
H 1.502693 2.021326 2.743089
H 2.465471 -4.074569 1.954319
H 1.000427 -3.090209 1.755221
H 1.673462 -3.952511 0.370520


%chk=000186049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186049

0 1
S 1.241350 0.132186 -2.215392
S 4.704373 -0.049762 -0.954765
P 2.713382 -0.266239 -0.467816
O 2.116271 0.664769 0.874747
O 2.131155 -1.815078 0.042177
O -4.894496 1.913718 0.106662
O -4.594656 0.001740 1.316255
N -4.199867 0.881506 0.456237
C -0.354870 0.347271 -1.334770
C 2.478462 2.113133 0.953157
C 2.941805 -2.573311 1.054509
C -1.145489 1.471487 -1.688452
C -0.826200 -0.601650 -0.392873
C -2.868116 0.696420 -0.166486
C -2.417386 1.645656 -1.110092
C -2.088070 -0.422856 0.202667
C 1.916334 2.616771 2.278726
C 2.310557 -3.958060 1.145436
H 3.579594 2.210240 0.900578
H 2.026220 2.636668 0.088718
H 3.989834 -2.617486 0.702573
H 2.896388 -2.028906 2.015647
H -0.765021 2.202393 -2.408575
H -0.201322 -1.460000 -0.130184
H -3.052633 2.497751 -1.364997
H -2.479924 -1.132743 0.935676
H 2.142996 3.692916 2.392477
H 0.822139 2.484150 2.316667
H 2.366502 2.073842 3.126723
H 2.868229 -4.570506 1.877944
H 1.260435 -3.893347 1.477522
H 2.341827 -4.466676 0.167503


