%chk=000281348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281348

0 1
S 3.430494 -1.814989 -0.759777
O -5.321397 2.106688 1.206888
O -3.983218 0.844621 2.479251
O -6.125045 -1.235520 1.089881
O 3.584451 -2.696665 -1.899146
O 4.104379 -2.106131 0.472827
N -2.996626 0.062419 -0.242036
N -2.358627 -0.914068 0.186342
N 4.086181 -0.336050 -1.439227
N 4.806642 1.928364 -1.375078
N 3.398815 0.987056 0.403852
C -4.432806 0.153016 0.119772
C -5.141342 1.022266 -0.943171
C -5.860152 2.123349 -0.150630
C -4.518744 1.008124 1.424000
C -5.228557 -1.176425 0.288763
C -4.859966 -2.293870 -0.626991
C -0.945605 -1.020706 -0.100552
C 1.761563 -1.502808 -0.504077
C -0.046805 -0.811625 0.956608
C -0.507296 -1.468651 -1.359970
C 1.312080 -1.057920 0.745439
C 0.852383 -1.710525 -1.549821
C 4.105359 0.889023 -0.784118
C 4.808555 3.122774 -0.724272
C 4.121176 3.291696 0.499365
C 3.430066 2.196331 1.024059
C 5.566339 4.239841 -1.353411
H -5.845154 0.439711 -1.563344
H -4.404769 1.458197 -1.651564
H -5.659376 3.143906 -0.515954
H -6.944888 1.952687 -0.038302
H -5.699619 -2.998109 -0.748323
H -4.028840 -2.885296 -0.197494
H -4.541966 -1.969277 -1.623942
H -0.403462 -0.465574 1.928609
H -1.214821 -1.622751 -2.171779
H 2.028158 -0.898069 1.564945
H 1.207815 -2.070693 -2.523903
H 4.615486 -0.376041 -2.329581
H 4.134476 4.245221 1.015049
H 2.874434 2.263750 1.968689
H 4.916727 5.105195 -1.550846
H 6.020321 3.945332 -2.315764
H 6.385681 4.580796 -0.702168


%chk=000281348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281348

0 1
S 3.224085 -1.402252 -1.572667
O -5.954267 2.156030 -0.191775
O -3.936208 2.149330 0.954357
O -6.114175 -0.430806 1.791396
O 3.209863 -1.962484 -3.099124
O 3.965269 -2.213296 -0.386002
N -3.425830 -0.242239 -0.754284
N -2.524283 -0.426175 0.165601
N 3.964372 0.268027 -1.831672
N 5.257008 2.086654 -1.163354
N 3.763223 0.959024 0.422135
C -4.761341 0.041247 -0.173910
C -5.843875 0.011594 -1.287526
C -6.811427 1.142981 -0.881692
C -4.793487 1.553131 0.297627
C -5.230055 -0.865265 1.011244
C -4.682831 -2.275143 1.104071
C -1.188463 -0.630459 -0.335306
C 1.445652 -1.038408 -1.056087
C -0.196958 -0.764730 0.670060
C -0.846779 -0.707532 -1.714697
C 1.152026 -0.968957 0.313023
C 0.492960 -0.921697 -2.085522
C 4.346572 1.125814 -0.804242
C 5.609704 2.992355 -0.201791
C 5.065367 2.901214 1.109751
C 4.150234 1.861252 1.370457
C 6.599383 4.064790 -0.589177
H -6.357833 -0.960292 -1.375737
H -5.340923 0.232750 -2.244902
H -7.280153 1.658761 -1.732426
H -7.573657 0.812706 -0.157341
H -5.365024 -2.889732 1.711845
H -3.692025 -2.242910 1.592624
H -4.533856 -2.726729 0.107136
H -0.502912 -0.692733 1.717934
H -1.634688 -0.602443 -2.465790
H 1.949037 -1.061127 1.054548
H 0.797551 -1.016069 -3.132679
H 4.467182 0.330290 -2.725962
H 5.349602 3.610755 1.890592
H 3.700776 1.736306 2.361335
H 6.173814 5.072457 -0.428806
H 6.873680 3.956935 -1.649308
H 7.516188 3.995674 0.025140


