%chk=000182491.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182491

0 1
Cl 0.180834 3.035099 -2.034483
S -1.384531 -0.034833 2.013972
S -2.303353 -1.856018 1.617276
O -1.991955 -1.980197 -1.826698
O -3.786614 2.128617 0.821825
O 3.546221 -1.642201 -0.274145
O 5.309155 0.355557 1.003019
N -1.481577 -0.022530 -0.728408
N 0.874477 -0.573491 -1.135171
N -4.025453 -0.123555 0.397626
C 0.161890 1.752419 -0.787376
C -0.242608 0.372384 -1.454989
C -1.758480 0.831197 0.423941
C -0.896510 2.079692 0.281276
C 1.541514 1.508504 -0.273365
C -3.340932 -1.381289 0.137028
C -2.214701 -1.204983 -0.926828
C -3.276502 1.060617 0.572836
C 1.920054 0.156058 -0.514289
C 1.181798 -1.587369 -2.167672
C 2.411771 2.394101 0.355072
C -4.219589 -2.564419 -0.174547
C 3.165368 -0.320469 -0.066644
C -5.477108 -0.106217 0.693934
C 3.666529 1.947908 0.758930
C 4.044220 0.600669 0.553163
C 2.918730 -2.559723 0.671735
C 5.903566 -0.948474 0.766359
H -0.468637 0.421912 -2.549817
H -0.417293 2.386911 1.234808
H -1.532779 2.953790 0.001411
H 2.043728 -2.202682 -1.844683
H 1.429258 -1.153167 -3.149295
H 0.298166 -2.248441 -2.280618
H 2.116456 3.432180 0.515126
H -4.870862 -2.366505 -1.042227
H -3.617725 -3.449197 -0.454765
H -4.864721 -2.857248 0.665642
H -5.795157 0.931453 0.927261
H -5.714410 -0.736299 1.567444
H -6.055999 -0.449194 -0.178746
H 4.377846 2.619530 1.236027
H 3.239212 -2.323585 1.688983
H 3.300317 -3.529855 0.340019
H 1.827674 -2.506235 0.585126
H 5.779774 -1.248251 -0.280798
H 5.448452 -1.680552 1.438211
H 6.954289 -0.761716 1.016914


%chk=000182491-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182491

0 1
Cl 0.453518 3.106892 -2.392895
S -1.097390 0.337939 2.027917
S -1.971188 -1.772029 1.814514
O -1.861872 -2.037999 -1.788327
O -3.823842 2.198403 0.699669
O 3.341794 -1.777563 -0.184180
O 5.027065 0.031486 1.437140
N -1.415970 0.034166 -0.799596
N 0.934522 -0.475555 -1.431413
N -3.909428 -0.143119 0.463413
C 0.182205 1.792515 -0.973845
C -0.215910 0.412546 -1.614176
C -1.742990 0.969080 0.251726
C -1.011398 2.270387 -0.116478
C 1.468965 1.489956 -0.276824
C -3.141303 -1.349576 0.221785
C -2.089472 -1.169622 -0.900734
C -3.249686 1.097022 0.481948
C 1.868078 0.160535 -0.587574
C 1.294504 -1.439334 -2.491316
C 2.246746 2.292152 0.580346
C -3.971546 -2.612635 0.007766
C 3.031093 -0.402191 -0.004421
C -5.288792 -0.208336 0.989343
C 3.443517 1.772128 1.104996
C 3.844744 0.436950 0.812074
C 2.492612 -2.658307 0.660905
C 5.897768 -0.971309 0.787897
H -0.508794 0.465867 -2.675305
H -0.692316 2.847092 0.764403
H -1.702733 2.901090 -0.700572
H 2.099293 -2.092653 -2.121279
H 1.657712 -0.924601 -3.405353
H 0.409187 -2.047009 -2.737085
H 1.947358 3.320434 0.808393
H -4.604619 -2.495706 -0.890017
H -3.296037 -3.461054 -0.182082
H -4.606390 -2.835602 0.879089
H -5.632460 0.828457 1.126187
H -5.305169 -0.727295 1.965495
H -5.958799 -0.724510 0.283261
H 4.097513 2.366815 1.748367
H 2.682623 -2.458529 1.731980
H 2.787712 -3.687586 0.404856
H 1.420927 -2.500174 0.438481
H 5.988478 -0.768878 -0.294285
H 5.510957 -1.992223 0.930590
H 6.873016 -0.848613 1.284617


