%chk=000217074.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217074

0 1
S -1.674582 0.213858 -1.853061
S 1.240543 0.439911 0.400912
P -2.044442 -0.221887 0.156058
O -3.419731 0.553952 0.563729
O -2.483650 -1.801650 0.121692
O -0.894038 0.172512 1.024723
O 3.810795 -0.178366 0.687748
N 1.944472 1.058345 -2.033143
N 3.082455 0.626832 -1.462352
C -0.441437 1.572698 -1.645900
C -4.655834 0.282061 -0.156439
C -1.456030 -2.773029 0.495434
C 0.873472 1.055866 -1.250436
C -5.245247 -1.057397 0.232650
C -0.572523 -3.095977 -0.691231
C 2.907339 0.280893 -0.167527
C 5.195587 -0.340033 0.163515
C 5.945809 -0.857804 1.368493
H -0.813123 2.349766 -0.942652
H -0.388983 2.062339 -2.651263
H -5.274627 1.131073 0.208470
H -4.500244 0.387854 -1.246192
H -0.885271 -2.417515 1.375685
H -2.094931 -3.632156 0.788471
H -6.280061 -1.153170 -0.117741
H -4.680701 -1.909225 -0.180905
H -5.252095 -1.189493 1.324359
H -0.085686 -4.072052 -0.568597
H -1.150828 -3.137284 -1.626217
H 0.230682 -2.360888 -0.845192
H 5.536182 0.649552 -0.186127
H 5.151735 -1.050409 -0.679041
H 7.007432 -1.010879 1.137932
H 5.881851 -0.157177 2.213796
H 5.534511 -1.813922 1.721446


%chk=000217074-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217074

0 1
S -1.504252 0.350442 -1.488474
S 1.597443 0.218632 0.805669
P -2.500122 -0.204839 0.540116
O -4.122480 0.354610 0.493819
O -2.729054 -1.916994 0.471001
O -1.680561 0.365539 1.779663
O 4.278104 -0.337745 0.534327
N 2.007841 1.565848 -1.480975
N 3.263448 1.023222 -1.155640
C -0.361275 1.723541 -0.758727
C -4.973869 0.228009 -0.728750
C -1.648854 -2.824958 0.984583
C 1.045568 1.265943 -0.611430
C -5.649104 -1.141178 -0.820383
C -0.740200 -3.302627 -0.148902
C 3.223396 0.306369 -0.026935
C 5.593296 -0.194912 -0.190912
C 6.614426 -0.982595 0.617056
H -0.803228 2.021502 0.205711
H -0.410446 2.547718 -1.485629
H -5.708893 1.038478 -0.592543
H -4.356825 0.452073 -1.621697
H -1.086013 -2.303045 1.780961
H -2.217367 -3.657319 1.431873
H -6.327520 -1.156231 -1.694554
H -4.907064 -1.949394 -0.932491
H -6.245954 -1.341175 0.085499
H -0.034120 -4.059934 0.241250
H -1.333654 -3.768055 -0.954424
H -0.154511 -2.472496 -0.578252
H 5.824888 0.883278 -0.252735
H 5.454485 -0.583816 -1.215312
H 7.603595 -0.908937 0.129452
H 6.701886 -0.583534 1.641633
H 6.335793 -2.048222 0.677249


