%chk=000198298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198298

0 1
S -2.586026 0.523631 -2.077783
P -2.620646 0.170365 -0.048362
O -4.072894 -0.410287 0.652204
O -2.360034 1.421543 1.083602
O -1.615151 -1.236329 0.501935
O 3.804915 -0.774434 0.029244
N 0.289485 0.057117 0.079000
N 1.652655 0.195917 -0.042409
C -4.767396 -1.562136 -0.001823
C -1.567475 2.632971 0.678088
C -0.240166 -1.156240 0.375265
C -6.141250 -1.646041 0.655064
C -2.504457 3.742882 0.204489
C 0.541331 -2.330452 0.577561
C 1.923817 -2.197226 0.460316
C 2.436132 -0.902400 0.145210
C 4.326843 0.581042 -0.306177
C 5.828911 0.441462 -0.382331
C 6.670895 1.459912 -0.596367
H -4.837579 -1.370558 -1.090292
H -4.167191 -2.474074 0.172748
H -1.041500 2.898886 1.609865
H -0.823070 2.337572 -0.081843
H -6.706148 -2.496480 0.230311
H -6.043854 -1.798398 1.743102
H -6.713803 -0.719825 0.480526
H -1.918574 4.663595 0.020581
H -3.009774 3.461730 -0.735288
H -3.268271 3.964702 0.969337
H 0.058206 -3.280774 0.813722
H 2.609243 -3.036644 0.597317
H 3.997944 1.291992 0.474691
H 3.874104 0.906780 -1.261784
H 6.209492 -0.580098 -0.253768
H 7.751937 1.296626 -0.649970
H 6.320449 2.491269 -0.727275


%chk=000198298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198298

0 1
S -2.629132 0.464693 -2.094462
P -2.625723 0.162407 -0.056451
O -4.063380 -0.407375 0.682867
O -2.351852 1.443397 1.038310
O -1.602754 -1.221016 0.516174
O 3.808628 -0.728503 -0.042466
N 0.284326 0.074162 0.024568
N 1.644637 0.220999 -0.118512
C -4.757734 -1.583895 0.074490
C -1.582832 2.652220 0.583101
C -0.229596 -1.132459 0.370828
C -6.123527 -1.654821 0.749472
C -2.542326 3.741021 0.105266
C 0.565684 -2.290727 0.607688
C 1.945228 -2.149148 0.467608
C 2.441674 -0.862257 0.096476
C 4.312515 0.623229 -0.454796
C 5.790149 0.479626 -0.686042
C 6.721455 1.294752 -0.133054
H -4.840907 -1.427819 -1.018749
H -4.149856 -2.486079 0.271730
H -1.036745 2.946973 1.494390
H -0.854349 2.345197 -0.187628
H -6.687803 -2.522145 0.359453
H -6.012614 -1.770910 1.840714
H -6.704032 -0.738275 0.551650
H -1.970667 4.663235 -0.112884
H -3.065753 3.433590 -0.816201
H -3.291148 3.972683 0.881950
H 0.094975 -3.235667 0.886751
H 2.640981 -2.975845 0.628040
H 4.073431 1.355136 0.336997
H 3.767926 0.919455 -1.371958
H 6.089865 -0.321623 -1.374952
H 7.786333 1.187346 -0.365495
H 6.446024 2.096040 0.563835


