%chk=000236551.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236551

0 1
S -1.575298 0.647616 1.332818
F 4.644040 -2.017647 0.620820
F 4.245629 -1.512265 -1.391644
F 4.996603 -0.046406 -0.056838
O -1.638827 2.087015 1.245136
O -1.703588 0.007649 2.634574
O -1.106224 1.725522 -1.174587
O 0.836919 2.455402 -1.807635
N 0.112172 1.730617 -1.156397
C 0.063112 0.149620 0.797005
C 0.758489 0.711461 -0.274879
C -2.677352 -0.123383 0.254888
C 0.703708 -0.811898 1.575059
C 2.696137 -0.644037 0.206691
C 2.072728 0.337189 -0.578832
C 2.014667 -1.219481 1.283141
C -2.891316 -1.504882 0.352592
C -3.400214 0.631501 -0.674080
C 4.108568 -1.049456 -0.137912
C -3.803063 -2.133031 -0.496483
C -4.316051 0.002839 -1.526123
C -4.514200 -1.376975 -1.438799
H 0.187119 -1.247021 2.447409
H 2.597796 0.817205 -1.416662
H 2.486414 -1.979392 1.913635
H -2.357137 -2.094381 1.103140
H -3.249772 1.719584 -0.740958
H -3.968834 -3.206756 -0.422997
H -4.872157 0.593284 -2.253833
H -5.227368 -1.869091 -2.102048


%chk=000236551-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236551

0 1
S -1.587426 0.488692 1.318048
F 4.912144 -1.829238 0.936867
F 4.618760 -1.408592 -1.274934
F 5.221836 0.266646 0.122580
O -1.737286 2.105237 1.397598
O -1.669597 -0.415695 2.682426
O -0.988259 1.580688 -1.377454
O 1.056992 2.270410 -2.117204
N 0.298832 1.565492 -1.354056
C 0.235272 0.050104 0.684138
C 0.943065 0.642368 -0.383526
C -2.889552 -0.234242 0.144851
C 0.886292 -0.842427 1.548314
C 2.947132 -0.567696 0.269274
C 2.304422 0.344929 -0.592596
C 2.244276 -1.166334 1.336847
C -3.149200 -1.610401 0.244591
C -3.608280 0.654425 -0.667867
C 4.400801 -0.884340 0.025066
C -4.185410 -2.133777 -0.563481
C -4.649715 0.110345 -1.454121
C -4.929072 -1.276114 -1.408518
H 0.320313 -1.248326 2.395798
H 2.826574 0.828100 -1.424066
H 2.752155 -1.868312 2.003799
H -2.593326 -2.242511 0.943991
H -3.370298 1.721525 -0.674654
H -4.417837 -3.202653 -0.519000
H -5.235807 0.770227 -2.101502
H -5.735103 -1.688127 -2.025007


