%chk=000287278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287278

0 1
S 3.845573 0.498245 -2.512116
O 2.861621 2.108895 2.147634
O -4.028393 1.524420 -0.527132
O -4.749476 -0.609462 1.209772
N 3.734716 0.325356 0.114148
C 4.325900 1.690605 0.225741
C 3.296413 -0.188287 1.442650
C 3.298820 2.631699 0.875281
C 2.278260 0.795695 2.047752
C 3.412464 -0.235897 -1.074241
C 2.716615 -1.567874 -1.136086
C 1.308474 -1.536194 -0.603290
C -0.886811 -0.495846 -0.433476
C 0.443159 -0.517962 -0.945418
C -1.318652 -1.536548 0.429456
C 0.868714 -2.590949 0.251375
C -0.410880 -2.589549 0.752826
C -1.795162 0.558944 -0.774768
C -2.649295 -1.513099 0.951067
C -3.070223 0.565443 -0.268687
C -3.513516 -0.493290 0.620608
C -3.670525 2.599916 -1.432189
C -5.760564 0.383621 0.906615
H 4.646360 2.087124 -0.769352
H 5.246418 1.620297 0.848687
H 4.193836 -0.262791 2.100866
H 2.863807 -1.207690 1.375347
H 3.745980 3.601332 1.160361
H 2.419122 2.794608 0.227752
H 1.348590 0.846743 1.451008
H 2.041798 0.558043 3.100595
H 2.673392 -1.913179 -2.204306
H 3.331928 -2.346319 -0.633382
H 0.760150 0.277888 -1.622310
H 1.552138 -3.403434 0.490024
H -0.754343 -3.394758 1.402165
H -1.441237 1.338680 -1.444702
H -2.985094 -2.309938 1.614271
H -4.599137 3.183913 -1.460144
H -3.427299 2.199835 -2.421112
H -2.847834 3.188365 -1.015672
H -5.428935 1.372114 1.242309
H -6.611543 0.020757 1.494807
H -5.980626 0.383127 -0.166036


%chk=000287278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287278

0 1
S 3.537791 0.646822 -2.700008
O 3.508408 2.018527 2.375990
O -4.144807 1.736624 -0.400770
O -4.937484 -0.371794 1.296012
N 3.777136 0.368620 0.010134
C 4.465105 1.681004 0.102692
C 3.577092 -0.246618 1.347682
C 3.678829 2.617646 1.039531
C 2.805673 0.732852 2.261898
C 3.339524 -0.153411 -1.183376
C 2.621085 -1.505301 -1.144494
C 1.203595 -1.452017 -0.560834
C -1.009381 -0.373570 -0.366434
C 0.326443 -0.407303 -0.880518
C -1.458994 -1.439590 0.502985
C 0.747758 -2.506669 0.298206
C -0.549877 -2.500205 0.816783
C -1.915162 0.691320 -0.685347
C -2.799789 -1.404055 1.003558
C -3.215554 0.711444 -0.172287
C -3.674488 -0.367614 0.682624
C -3.699040 2.888173 -1.191310
C -6.127462 -0.265300 0.424108
H 4.539679 2.100072 -0.915908
H 5.482771 1.515185 0.506912
H 4.571709 -0.454654 1.790039
H 3.016512 -1.187730 1.269017
H 4.231241 3.556580 1.205256
H 2.684810 2.844057 0.598118
H 1.782113 0.886843 1.859064
H 2.742260 0.336329 3.288272
H 2.574395 -1.852154 -2.190498
H 3.224526 -2.250963 -0.589063
H 0.666147 0.395299 -1.547348
H 1.429373 -3.332178 0.539912
H -0.887117 -3.312739 1.471199
H -1.559906 1.497092 -1.335613
H -3.168446 -2.199448 1.659782
H -4.559505 3.572637 -1.211993
H -3.432616 2.588536 -2.223267
H -2.834147 3.385969 -0.712661
H -6.131558 0.690238 -0.124486
H -6.985361 -0.321531 1.111131
H -6.158578 -1.114424 -0.285991


