%chk=000194343.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194343

0 1
S 0.341093 -1.925852 -0.510423
O -2.103443 2.048893 -1.577054
O -3.381371 -0.647434 1.854799
O 0.552697 -0.830843 -1.483276
O 2.372096 3.267924 1.641478
O 1.767517 1.128983 1.445428
O -6.174950 1.010765 -1.260365
O -7.580622 0.450142 0.390127
N -1.007419 0.983397 0.110589
N -4.013314 0.909842 0.307023
N 1.544910 -1.785519 0.749304
N 3.688090 1.480945 -0.829984
C -1.839566 -0.236853 -0.001908
C -1.102936 -1.460258 0.519405
C 1.329978 2.191280 -1.461847
C 0.072269 2.925844 -0.990424
C 2.556230 2.397318 -0.555184
C -1.099495 1.967899 -0.884611
C -3.136008 -0.028663 0.832714
C 2.192760 2.129849 0.906310
C -5.303622 1.167605 0.956862
C 2.846247 -2.275796 0.429433
C 3.981954 -1.537417 0.825301
C 3.000457 -3.513632 -0.224491
C -6.478649 0.816925 0.064041
C 5.255110 -2.045786 0.573575
C 4.285847 -3.999738 -0.473203
C 5.413602 -3.273745 -0.079122
H -2.135875 -0.387720 -1.083791
H -1.786200 -2.336559 0.542293
H -0.834472 -1.336351 1.591870
H 1.586115 2.516467 -2.490751
H 1.122499 1.090401 -1.576874
H 0.224173 3.469033 -0.036494
H -0.202183 3.721855 -1.720061
H -0.166160 0.903153 0.689280
H 2.921713 3.460808 -0.639132
H -3.813378 1.426754 -0.564970
H 1.561222 -0.918603 1.318215
H 3.371693 0.517061 -0.952784
H 4.184559 1.755108 -1.672776
H -5.387357 2.245107 1.246241
H -5.385206 0.571605 1.910586
H 3.866014 -0.577059 1.328373
H 2.136029 -4.101879 -0.520439
H 2.186935 3.145815 2.614340
H 6.132388 -1.477797 0.883990
H 4.407637 -4.958400 -0.977513
H 6.409563 -3.662091 -0.276139
H -6.934371 0.789515 -1.865756


%chk=000194343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194343

0 1
S 0.485401 -1.723847 -0.632961
O -2.371797 2.602350 -1.093670
O -3.593109 -1.062359 1.400368
O 0.764324 -0.419595 -1.643032
O 3.342776 2.774901 1.567910
O 1.618826 1.262350 1.334763
O -5.961023 0.020268 -1.473461
O -7.710046 0.952835 -0.261598
N -1.084505 1.227144 0.281436
N -4.066215 0.925997 0.270301
N 1.735580 -1.736788 0.808707
N 3.153316 1.477875 -1.297052
C -1.808964 -0.032946 0.005884
C -0.999432 -1.218090 0.530790
C 1.006638 2.787741 -1.314454
C -0.134146 3.377682 -0.414895
C 2.402685 2.571041 -0.659662
C -1.305897 2.392293 -0.415011
C -3.241266 -0.104011 0.641358
C 2.362514 2.146683 0.815522
C -5.451128 0.974327 0.713101
C 2.979512 -2.388452 0.526730
C 4.182096 -1.649097 0.351931
C 3.011037 -3.807765 0.465516
C -6.496021 0.671732 -0.360809
C 5.403741 -2.329975 0.157790
C 4.231292 -4.477109 0.240301
C 5.433825 -3.742904 0.095064
H -1.946960 -0.105985 -1.094767
H -1.623246 -2.122221 0.592297
H -0.545217 -1.039549 1.517787
H 1.156912 3.432769 -2.197825
H 0.683811 1.800241 -1.692205
H 0.214399 3.560377 0.619576
H -0.504938 4.334751 -0.812230
H -0.171084 1.141323 0.756595
H 3.000369 3.497926 -0.698433
H -3.678744 1.640594 -0.384978
H 1.839417 -0.743971 1.104385
H 2.576305 0.690989 -1.625928
H 3.971462 1.722316 -1.851070
H -5.707075 1.961279 1.138164
H -5.576240 0.220447 1.514961
H 4.147599 -0.552347 0.342145
H 2.082429 -4.367348 0.620887
H 3.368597 2.392241 2.488506
H 6.329555 -1.756476 0.035543
H 4.249167 -5.571712 0.195722
H 6.381936 -4.267114 -0.066635
H -6.693670 -0.168513 -2.121157


