%chk=000276461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276461

0 1
S 1.772269 1.835741 -0.380734
O 2.650966 2.619666 -1.225984
O 1.152012 2.416175 0.784179
O -2.548121 -0.187418 1.768606
O -4.188282 -1.437214 -0.346570
N 0.535833 1.358880 -1.499870
C 2.534000 0.355448 0.038903
C -0.678083 0.710948 -1.181932
C 3.677205 -0.058047 -0.657966
C 2.032125 -0.436315 1.079041
C 3.800302 -2.057126 0.710744
C -1.111386 0.587483 0.146247
C -1.446087 0.158486 -2.238873
C 4.308620 -1.255451 -0.327788
C 2.658248 -1.636344 1.414288
C -2.296295 -0.115738 0.425602
C -3.057890 -0.670387 -0.628623
C -2.621612 -0.524015 -1.952143
C 4.478528 -3.334070 1.075579
C -3.739343 -0.886188 2.215417
C -5.430593 -0.829475 -0.790173
H 0.659156 1.608453 -2.490966
H 4.083600 0.567027 -1.462497
H 1.144936 -0.115286 1.639191
H -0.594929 1.075019 0.979667
H -1.116137 0.259066 -3.267872
H 5.197254 -1.568557 -0.872721
H 2.259393 -2.246582 2.223128
H -3.214554 -0.962959 -2.755153
H 3.775634 -4.090940 1.452256
H 5.012086 -3.787556 0.228534
H 5.223015 -3.165166 1.870256
H -3.768035 -1.900475 1.799404
H -4.627535 -0.320780 1.922706
H -3.599678 -0.891367 3.302224
H -5.555668 0.158078 -0.339335
H -6.180045 -1.538299 -0.422064
H -5.451407 -0.768713 -1.881107


%chk=000276461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276461

0 1
S 1.944223 2.165378 0.054526
O 3.030550 2.999222 -0.828083
O 1.535252 2.573658 1.571175
O -2.938625 0.376201 2.049824
O -3.720089 -1.556430 0.128932
N 0.269006 2.298306 -1.011556
C 2.487779 0.352595 0.096631
C -0.693742 1.285862 -0.764085
C 3.381847 -0.094667 -0.890111
C 1.983704 -0.473921 1.114678
C 3.304302 -2.327364 0.158824
C -1.385442 1.297899 0.480675
C -1.032404 0.304078 -1.734395
C 3.787634 -1.446570 -0.845915
C 2.400840 -1.822918 1.131796
C -2.383963 0.350516 0.761318
C -2.732600 -0.627733 -0.230204
C -2.064547 -0.620636 -1.478219
C 3.774246 -3.769435 0.214639
C -4.411346 0.442527 2.170064
C -4.053208 -2.605267 -0.840456
H 0.640574 2.298181 -1.981136
H 3.769455 0.599436 -1.643333
H 1.307306 -0.070978 1.875070
H -1.146664 2.055107 1.232910
H -0.499313 0.272938 -2.692229
H 4.493043 -1.819632 -1.597556
H 2.021564 -2.489048 1.915194
H -2.322051 -1.356268 -2.245693
H 2.997069 -4.434120 0.630273
H 4.051846 -4.146361 -0.784906
H 4.667499 -3.865321 0.861931
H -4.885045 -0.462381 1.756250
H -4.797126 1.344324 1.656860
H -4.599725 0.520270 3.251383
H -4.467601 -2.174968 -1.772516
H -4.817136 -3.220512 -0.343331
H -3.167610 -3.225965 -1.075630


