%chk=000215587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215587

0 1
S 2.924309 -1.353232 -0.529013
O -0.526248 -1.623919 -1.045394
O 0.174778 0.309315 -0.097328
N -4.032810 -0.723069 -0.196684
C -5.163992 -0.446222 -1.142978
C -4.123861 0.145002 1.024834
C -6.504983 -0.722791 -0.442017
C -5.448868 -0.125405 1.756221
C -6.647910 0.119327 0.831741
C -2.709698 -0.545794 -0.874609
C -1.768419 -1.599118 -0.275283
C 0.389524 -0.621274 -0.839754
C 1.597885 -0.897818 -1.674776
C 3.745583 0.167329 -0.210011
C 5.163464 2.487616 0.411404
C 5.094140 0.263620 -0.564228
C 3.093773 1.214974 0.444728
C 5.803776 1.423988 -0.247921
C 3.804143 2.377392 0.750430
C 5.920489 3.734213 0.733175
H -5.054208 -1.129972 -2.012695
H -5.150213 0.592722 -1.536342
H -4.034907 1.227527 0.789088
H -3.270599 -0.111402 1.689752
H -7.337412 -0.517781 -1.138726
H -6.567768 -1.799363 -0.184132
H -5.463288 -1.174450 2.114421
H -5.514291 0.513706 2.655047
H -6.718188 1.192842 0.574075
H -7.589280 -0.134534 1.352819
H -2.795529 -0.715324 -1.969175
H -2.270008 0.469095 -0.752245
H -2.136064 -2.632177 -0.415104
H -1.530172 -1.409916 0.784099
H 1.438823 -1.751847 -2.370926
H 1.861731 -0.020914 -2.299086
H 5.595354 -0.556352 -1.080864
H 2.032027 1.133822 0.711474
H 6.855094 1.503925 -0.515681
H 3.299708 3.198181 1.256835
H 5.884855 4.439055 -0.111426
H 6.980018 3.536545 0.945149
H 5.512341 4.258481 1.608005


%chk=000215587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215587

0 1
S 2.919958 -1.214879 -0.978973
O -0.581357 -1.364785 -1.218154
O 0.010268 0.675739 -0.248163
N -4.193289 -0.776080 -0.246537
C -5.460385 -0.922386 -1.006972
C -4.264307 0.344217 0.728641
C -6.644997 -1.178887 -0.051724
C -5.408917 0.124150 1.737559
C -6.756400 -0.052044 1.000957
C -2.984645 -0.723518 -1.097400
C -1.813989 -1.415517 -0.372986
C 0.252587 -0.264214 -1.044588
C 1.481692 -0.392110 -1.920946
C 3.874989 0.251213 -0.387042
C 5.475539 2.398003 0.592750
C 5.286298 0.146787 -0.398527
C 3.255439 1.418452 0.116831
C 6.072411 1.208781 0.099915
C 4.059146 2.480870 0.588176
C 6.327856 3.553530 1.088359
H -5.349945 -1.769873 -1.709006
H -5.677829 -0.006241 -1.618145
H -4.425149 1.319903 0.197673
H -3.297514 0.421445 1.258070
H -7.579710 -1.260242 -0.639463
H -6.482798 -2.147273 0.460013
H -5.189541 -0.782248 2.334221
H -5.453883 0.983109 2.434426
H -7.024847 0.898856 0.495033
H -7.566657 -0.274104 1.720826
H -3.181950 -1.260872 -2.042890
H -2.691305 0.319892 -1.362244
H -2.014285 -2.488329 -0.237696
H -1.598769 -0.935790 0.596987
H 1.282542 -1.045735 -2.782206
H 1.828932 0.598309 -2.249451
H 5.766546 -0.752687 -0.799147
H 2.163166 1.495611 0.159264
H 7.165220 1.114154 0.092060
H 3.570235 3.383383 0.975116
H 6.599514 4.234208 0.257815
H 7.270234 3.197302 1.540840
H 5.792997 4.155900 1.843628


