%chk=000179813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179813

0 1
S -0.599092 -0.209809 1.478825
O 4.344988 0.223483 0.584705
O -2.901663 -0.745812 -1.278270
O -0.840784 -0.060452 -1.814969
O 3.594325 -1.910396 0.437322
O -4.345426 2.932834 -0.360459
O 5.815839 -2.047049 -1.352923
N -3.396426 1.067351 0.534936
C -2.141219 1.272399 -0.202717
C -0.954346 1.413385 0.752054
C 0.899303 -0.769245 0.621687
C 2.124084 -0.110658 1.231039
C -1.848004 0.120557 -1.170368
C 3.383680 -0.750795 0.710122
C -4.483214 1.939531 0.330961
C 5.693682 -0.163547 0.184011
C -5.740177 1.559664 1.052291
C 5.726225 -0.625820 -1.273513
H -2.241173 2.219441 -0.829428
H -1.196359 2.117608 1.576480
H -0.073473 1.832466 0.228838
H 0.935325 -1.876372 0.740070
H 0.827799 -0.581434 -0.473401
H 2.142257 0.985505 1.036076
H 2.122852 -0.205122 2.343980
H -3.501975 0.173295 1.010627
H 6.057202 -0.950773 0.870000
H 6.238578 0.782573 0.355507
H -5.591467 1.444807 2.134644
H -6.505054 2.342998 0.912707
H -6.169574 0.622427 0.670391
H 6.645074 -0.289005 -1.792799
H 4.837768 -0.273767 -1.830846
H -2.715975 -1.492793 -1.914460
H 5.030822 -2.462876 -0.900520


%chk=000179813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179813

0 1
S -0.621926 0.138094 1.801741
O 4.429429 0.305663 0.462964
O -2.930930 -0.335543 -1.868276
O -0.682075 0.224392 -1.854206
O 3.490522 -1.829175 0.520592
O -4.628935 2.781471 -0.269068
O 5.598515 -2.418621 -1.155136
N -3.402625 0.957537 0.477902
C -2.207677 1.349748 -0.261679
C -0.999324 1.614115 0.661045
C 0.881094 -0.631273 0.939415
C 2.181078 0.119699 1.277984
C -1.833047 0.366639 -1.380440
C 3.404675 -0.588316 0.717975
C -4.568662 1.709870 0.408859
C 5.780866 -0.226965 0.056393
C -5.754137 1.162535 1.190822
C 5.798558 -0.984218 -1.284888
H -2.489695 2.303182 -0.765798
H -1.218462 2.465144 1.323927
H -0.096150 1.827402 0.068317
H 0.920830 -1.669644 1.305233
H 0.686136 -0.641721 -0.143814
H 2.166522 1.158131 0.904852
H 2.301671 0.183396 2.377450
H -3.362326 0.092836 1.021749
H 6.157268 -0.881717 0.864069
H 6.375304 0.699158 0.009373
H -5.493964 0.310518 1.841717
H -6.185051 1.969977 1.805707
H -6.534688 0.839948 0.479369
H 6.804540 -0.871057 -1.727465
H 5.067666 -0.512908 -1.978745
H -2.640506 -0.910241 -2.628479
H 4.779908 -2.553455 -0.596859


