%chk=000113082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000113082

0 1
S -3.399621 0.955254 -1.332031
S 3.751983 -1.076094 0.617687
O -3.122517 -0.322837 -2.048902
O -3.965353 2.037344 -2.120745
O -2.128036 1.335461 -0.568526
N -0.710645 -1.691930 0.200043
C -3.001549 -1.135890 1.058407
C -4.410676 -0.829946 0.512095
C -2.174891 -1.940339 0.046540
C -4.569614 0.584878 -0.030498
C -0.192787 -0.473268 -0.133243
C 0.116354 -2.705449 0.666111
C 1.180379 -0.231934 -0.019889
C 1.479879 -2.496089 0.788065
C 2.022359 -1.239283 0.436005
C 4.122138 0.559577 0.082697
C 4.189629 1.583566 1.030237
C 4.411787 0.786558 -1.264826
C 4.558765 2.867061 0.614210
C 4.778803 2.073881 -1.670484
C 4.850907 3.110556 -0.732793
H -2.492312 -0.174706 1.304796
H -3.077447 -1.685932 2.013596
H -5.149906 -0.985795 1.324766
H -4.684416 -1.560322 -0.280320
H -2.396524 -3.022064 0.111571
H -2.472866 -1.613866 -1.027920
H -5.602102 0.734831 -0.400499
H -4.459985 1.328907 0.781504
H -0.972222 0.395447 -0.502181
H -0.342101 -3.667203 0.927057
H 1.552897 0.760805 -0.300503
H 2.122602 -3.302354 1.152507
H 3.959458 1.393754 2.079855
H 4.354406 -0.021860 -1.995818
H 4.614551 3.678578 1.339662
H 5.004803 2.269742 -2.718773
H 5.133367 4.114159 -1.054161


%chk=000113082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113082

0 1
S -3.533392 1.009662 -1.444776
S 3.897081 -1.198553 0.643538
O -3.313906 -0.411085 -2.288875
O -4.258314 2.221146 -2.254564
O -2.128606 1.444290 -0.635976
N -0.681305 -1.692415 0.214615
C -2.990129 -1.088576 1.093479
C -4.447925 -0.860376 0.584928
C -2.161603 -1.869714 0.038945
C -4.734581 0.537299 0.019797
C -0.124540 -0.469917 -0.110839
C 0.110198 -2.725791 0.663108
C 1.256846 -0.276251 0.012282
C 1.490551 -2.574989 0.794036
C 2.093128 -1.327630 0.461795
C 4.228998 0.536904 0.091502
C 4.290474 1.568836 1.054960
C 4.474220 0.795441 -1.276159
C 4.592559 2.885589 0.635935
C 4.773400 2.115926 -1.684821
C 4.831656 3.159000 -0.731060
H -2.517604 -0.104450 1.265675
H -2.995225 -1.639696 2.052791
H -5.155032 -1.018311 1.423148
H -4.703475 -1.612925 -0.185540
H -2.375970 -2.952338 0.092396
H -2.435675 -1.493337 -0.977001
H -5.734455 0.607950 -0.437351
H -4.568078 1.355559 0.738474
H -0.845896 0.324117 -0.448123
H -0.397736 -3.662223 0.903056
H 1.665207 0.701088 -0.255628
H 2.087188 -3.419854 1.148204
H 4.104620 1.348625 2.110900
H 4.430256 -0.017695 -2.007568
H 4.637628 3.691646 1.375527
H 4.957610 2.325713 -2.743447
H 5.061325 4.180533 -1.052064


