%chk=000233870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233870

0 1
S 2.037788 1.296098 -0.873365
O -3.306804 1.521031 -0.069104
O -4.255050 -0.783894 -0.427422
N 2.222055 -1.026757 0.326157
C -0.116262 -0.391260 -0.223821
C 1.326936 -0.212566 -0.163152
C -2.343724 0.550341 -0.170835
C -0.972901 0.732161 -0.097994
C -2.889971 -0.767978 -0.371012
C -0.647068 -1.667394 -0.406143
C 3.638166 0.748919 -0.443803
C 3.543963 -0.521495 0.189194
C -2.038852 -1.859620 -0.484026
C 4.865180 1.371249 -0.644668
C 4.704912 -1.176777 0.628073
C -2.855762 2.900434 0.142268
C -4.911907 -2.083448 -0.613912
C 6.013122 0.709147 -0.204194
C 5.931424 -0.548086 0.423659
C -4.159654 3.671064 0.203802
C -6.381845 -1.714928 -0.620129
H -0.547700 1.719420 0.068259
H 0.016994 -2.530858 -0.486337
H -2.423136 -2.865012 -0.629495
H 4.931432 2.343152 -1.129969
H 4.631383 -2.148961 1.113713
H -2.287392 2.942301 1.087027
H -2.221881 3.196397 -0.710852
H -4.571837 -2.511967 -1.571852
H -4.636293 -2.738328 0.230034
H 6.989433 1.170473 -0.347364
H 6.847735 -1.036542 0.755397
H -3.985972 4.740727 0.362898
H -4.736669 3.549920 -0.724222
H -4.800913 3.301619 1.017011
H -7.016444 -2.598045 -0.751320
H -6.671167 -1.219600 0.318139
H -6.610117 -1.003939 -1.427338


%chk=000233870-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233870

0 1
S 2.044964 1.640595 0.007052
O -3.383959 1.627792 -0.180517
O -4.330010 -0.836728 -0.350330
N 2.226333 -1.052433 -0.139568
C -0.130603 -0.284339 -0.171496
C 1.318411 -0.092853 -0.113459
C -2.425927 0.610986 -0.202220
C -1.035275 0.815929 -0.141969
C -2.942697 -0.725767 -0.294283
C -0.649510 -1.600164 -0.261643
C 3.674062 0.856459 0.012928
C 3.542587 -0.571423 -0.071956
C -2.040001 -1.814923 -0.322045
C 4.936241 1.475460 0.087225
C 4.705249 -1.379972 -0.082168
C -2.900529 3.021015 -0.090368
C -4.909190 -2.194402 -0.448445
C 6.085257 0.651391 0.075808
C 5.969063 -0.762690 -0.008341
C -4.139295 3.912273 -0.087160
C -6.424118 -2.018864 -0.493374
H -0.639741 1.833652 -0.072536
H 0.050055 -2.440214 -0.283776
H -2.417263 -2.838836 -0.391422
H 5.034154 2.563344 0.152035
H 4.597171 -2.466611 -0.146987
H -2.309597 3.147131 0.840427
H -2.246009 3.241590 -0.958974
H -4.530712 -2.688976 -1.366412
H -4.596306 -2.791223 0.432744
H 7.076944 1.113012 0.132833
H 6.874580 -1.378778 -0.015575
H -3.842179 4.974668 -0.019895
H -4.723363 3.767566 -1.011657
H -4.787080 3.672475 0.772892
H -6.917851 -3.005116 -0.564777
H -6.783145 -1.510725 0.417469
H -6.719507 -1.413300 -1.366757


