%chk=000261559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261559

0 1
S 2.558740 1.422505 -0.529821
O 3.517889 1.907502 -1.498231
O 2.136661 2.235446 0.583347
O -4.882628 -0.598808 -0.879252
O -4.536608 -0.110897 1.300725
N 1.172431 1.100697 -1.533923
C 3.015962 -0.134949 0.023212
C -0.141308 0.838719 -1.103015
C 3.966952 -0.876076 -0.690316
C 2.457042 -0.667954 1.192437
C 3.781525 -2.683061 0.917604
C 4.348386 -2.142423 -0.250174
C 2.832964 -1.933258 1.637789
C -0.525605 1.005896 0.246409
C -1.085256 0.374354 -2.054125
C -2.747937 0.187425 -0.298318
C -1.817711 0.678098 0.637093
C -2.373205 0.052996 -1.647130
C 4.178250 -4.036080 1.400711
C -4.098550 -0.159527 0.171052
C -6.271346 -0.950680 -0.587973
C -7.105545 0.308145 -0.468993
H 1.301361 1.157316 -2.555304
H 4.422163 -0.456345 -1.595696
H 1.724815 -0.088251 1.766560
H 5.088671 -2.710749 -0.811054
H 2.392566 -2.342405 2.546144
H 0.158869 1.446998 0.977609
H -0.805102 0.265768 -3.098403
H -2.126796 0.805003 1.680367
H -3.107930 -0.310675 -2.372634
H 3.306152 -4.701448 1.497238
H 4.892708 -4.540798 0.736046
H 4.649223 -3.983181 2.395008
H -6.521916 -1.558882 -1.475677
H -6.294724 -1.563367 0.331115
H -8.174840 0.078224 -0.404329
H -6.833685 0.877336 0.433403
H -6.954238 0.974689 -1.327501


%chk=000261559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261559

0 1
S 2.230043 1.108930 -0.779741
O 3.268018 1.814987 -1.819488
O 1.416646 1.952455 0.351577
O -5.390174 0.167811 -1.185538
O -4.813621 -1.265147 0.568254
N 0.992141 0.172223 -2.014486
C 3.097859 -0.308487 0.093797
C -0.359454 0.064503 -1.603456
C 4.130291 -0.975883 -0.581231
C 2.698279 -0.617272 1.404864
C 4.420959 -2.384293 1.425356
C 4.789319 -2.021863 0.103066
C 3.373732 -1.666004 2.064073
C -0.687818 -0.793167 -0.513502
C -1.404246 0.745147 -2.294751
C -3.068142 -0.303870 -0.837563
C -2.025977 -0.965614 -0.132292
C -2.746240 0.545880 -1.928302
C 5.134375 -3.508770 2.152871
C -4.471518 -0.531507 -0.394770
C -6.828519 0.037992 -0.801214
C -7.196437 1.063581 0.274884
H 1.122264 0.752562 -2.866862
H 4.421064 -0.679984 -1.593830
H 1.906529 -0.039093 1.892671
H 5.601169 -2.560575 -0.398021
H 3.086771 -1.925899 3.089611
H 0.113290 -1.333235 0.001086
H -1.154206 1.423653 -3.119440
H -2.295968 -1.621367 0.701688
H -3.552400 1.054756 -2.463028
H 4.428336 -4.311170 2.436633
H 5.925123 -3.959160 1.530220
H 5.603612 -3.145042 3.085766
H -7.366088 0.217067 -1.746215
H -7.005905 -0.993384 -0.449174
H -8.280725 1.008907 0.485727
H -6.652993 0.858984 1.212354
H -6.960990 2.088650 -0.059590


