%chk=000186038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186038

0 1
S 4.793983 0.194039 -0.560498
O -4.030533 0.453431 -0.132071
O 3.631345 -0.308940 0.567362
O -2.766771 -1.409968 0.292953
O 6.002869 -0.166145 0.517941
O 4.841264 -0.712260 -1.647679
O 4.694393 1.602999 -0.723935
N -1.817476 0.726161 -0.014987
C -5.284919 -0.347156 -0.039270
C -0.427100 0.428875 0.116792
C -5.580225 -0.585650 1.428660
C -6.279139 0.557416 -0.743345
C 0.478048 1.506688 -0.000450
C 0.040188 -0.879151 0.354309
C 2.289668 -0.028557 0.353785
C 1.846719 1.279679 0.122953
C 1.407475 -1.112085 0.469859
C -2.849651 -0.219332 0.077650
H -5.100625 -1.296722 -0.589642
H -6.562044 -1.051677 1.572098
H -4.830361 -1.254112 1.879284
H -5.569434 0.348057 2.005132
H -7.277444 0.104952 -0.769800
H -5.971439 0.760952 -1.777984
H -6.366274 1.531560 -0.242869
H 0.119658 2.518790 -0.184281
H -0.667086 -1.713953 0.445986
H -2.082133 1.698140 -0.202162
H 2.556867 2.108676 0.038794
H 1.795600 -2.114159 0.653666
H 5.705775 -0.452847 1.409151


%chk=000186038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186038

0 1
S 4.988641 -0.026368 -0.983842
O -4.023329 0.505489 -0.039373
O 3.662231 -0.400661 0.827622
O -2.845849 -1.510652 0.291271
O 6.233932 0.508875 0.273861
O 5.773008 -1.061565 -1.951613
O 4.304819 1.285994 -1.666888
N -1.786083 0.615449 0.174640
C -5.344139 -0.237537 -0.070850
C -0.429724 0.306821 0.329088
C -5.805104 -0.487443 1.370602
C -6.280232 0.654313 -0.886650
C 0.495711 1.401188 0.303103
C 0.046869 -1.035421 0.499032
C 2.359657 -0.169770 0.637446
C 1.862098 1.174501 0.449488
C 1.416597 -1.261393 0.629655
C -2.882072 -0.265091 0.159483
H -5.150005 -1.198358 -0.582746
H -6.778049 -1.011553 1.362347
H -5.082836 -1.119906 1.913320
H -5.931132 0.466973 1.911364
H -7.266655 0.166388 -0.982008
H -5.879170 0.828195 -1.899375
H -6.422852 1.630505 -0.391202
H 0.121627 2.421781 0.157046
H -0.668855 -1.859321 0.515575
H -2.039145 1.599487 0.044690
H 2.582595 1.996256 0.409967
H 1.810471 -2.275850 0.749802
H 5.698174 0.526376 1.122547


