%chk=000290485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290485

0 1
S 5.238641 -0.442499 -0.207615
O 5.424204 -1.617010 -1.036673
O 5.978594 0.777571 -0.458857
O -3.168441 2.615972 -0.155230
N -0.547393 0.760937 0.297841
N 5.669063 -0.926730 1.385821
C 3.557569 -0.081997 -0.099856
C 3.139530 1.208523 0.246779
C 2.612287 -1.079326 -0.366202
C 0.836064 0.499492 0.071615
C 1.781549 1.510131 0.333163
C 1.249106 -0.798788 -0.286450
C -3.710254 0.298641 -0.015203
C -2.808064 1.464617 -0.207967
C -3.282096 -0.871160 0.627218
C -5.035948 0.407247 -0.468942
C -1.364895 1.165692 -0.601458
C -4.173196 -1.934285 0.798849
C -5.918462 -0.661669 -0.303724
C -5.486814 -1.832898 0.329340
H 3.881431 1.993338 0.439762
H 2.942190 -2.085798 -0.652763
H 1.452582 2.511010 0.611665
H 0.513468 -1.575078 -0.487539
H -2.262128 -0.950282 1.010917
H -5.370683 1.332626 -0.943399
H -1.160468 1.376669 -1.664290
H 5.932985 -1.897377 1.538456
H 6.292386 -0.324964 1.919329
H -3.843076 -2.841974 1.302738
H -6.944394 -0.580562 -0.660981
H -6.177737 -2.665972 0.460956


%chk=000290485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290485

0 1
S 5.432742 0.168210 0.305706
O 6.056024 0.280242 -1.195116
O 5.792207 1.197495 1.515429
O -3.137638 0.717767 -2.654682
N -0.628408 0.078587 -0.192224
N 5.845296 -1.517237 0.925590
C 3.561222 0.123111 0.135554
C 2.784973 0.494312 1.246583
C 3.019288 -0.263209 -1.100694
C 0.791681 0.102369 -0.132743
C 1.384617 0.464391 1.108659
C 1.617056 -0.268036 -1.234616
C -3.748032 -0.051343 -0.447840
C -2.760102 0.374986 -1.484513
C -3.390627 -0.475521 0.863628
C -5.124159 -0.022275 -0.819209
C -1.267410 0.445169 -1.271014
C -4.394531 -0.861027 1.777345
C -6.119960 -0.406175 0.096799
C -5.757187 -0.827651 1.400297
H 3.264187 0.807979 2.179060
H 3.676923 -0.528841 -1.934492
H 0.731763 0.730738 1.944865
H 1.161275 -0.587305 -2.177874
H -2.335707 -0.500601 1.145745
H -5.379388 0.305884 -1.832263
H -0.758105 0.865393 -2.163170
H 6.429506 -1.986371 0.213317
H 6.321455 -1.411504 1.837141
H -4.114490 -1.188548 2.784482
H -7.174679 -0.379519 -0.197299
H -6.532191 -1.127373 2.114853


