%chk=000266976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266976

0 1
S -4.419635 0.233333 -0.102204
O -5.043382 0.551491 1.166136
O -4.895532 0.819391 -1.340233
O 1.883672 -0.234895 2.026873
N -4.535086 -1.479230 -0.292299
C -2.717204 0.563062 0.027256
C 0.023146 1.100287 0.231245
C 1.488146 1.418067 0.334485
C -1.982955 0.895495 -1.113772
C -2.086033 0.516997 1.273673
C -0.614791 1.158973 -1.018925
C -0.719383 0.778285 1.378409
C 2.295143 0.341563 1.046088
C -4.169412 -2.278497 0.898876
C -4.005772 -2.013890 -1.567149
C 3.640512 0.039739 0.464007
C 4.493782 1.058777 0.018745
C 4.052501 -1.299338 0.398297
C 5.749243 0.735979 -0.502310
C 5.305138 -1.618515 -0.133265
C 6.152858 -0.601773 -0.583662
H 1.610268 2.371616 0.901724
H 1.913277 1.624395 -0.671173
H -2.482344 0.962815 -2.087311
H -2.664271 0.288455 2.175977
H -0.051799 1.414748 -1.914171
H -0.217364 0.713828 2.348209
H -4.686502 -1.866329 1.788191
H -3.087283 -2.325025 1.099808
H -4.536592 -3.313215 0.776357
H -4.416833 -1.422307 -2.409114
H -4.362339 -3.049728 -1.709867
H -2.906372 -2.021962 -1.633852
H 4.190652 2.102784 0.087334
H 3.393570 -2.086732 0.770775
H 6.415681 1.526850 -0.844111
H 5.622243 -2.659275 -0.189439
H 7.131255 -0.850417 -0.994808


%chk=000266976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266976

0 1
S -4.609732 0.393127 0.134127
O -5.079449 0.692078 1.661694
O -5.207959 1.176644 -1.159771
O 1.803037 -1.237404 0.791329
N -5.025234 -1.437946 -0.162539
C -2.723179 0.589644 0.077897
C 0.058511 0.878135 -0.011857
C 1.563802 1.050168 -0.064111
C -2.124726 0.889887 -1.155877
C -1.996424 0.440545 1.271828
C -0.719099 1.031985 -1.187340
C -0.594306 0.583999 1.214094
C 2.373722 -0.200411 0.350084
C -4.500657 -2.277004 0.940026
C -4.618033 -1.850349 -1.525642
C 3.870336 -0.138494 0.222313
C 4.558670 1.024234 -0.220670
C 4.620410 -1.296667 0.568353
C 5.966476 1.026499 -0.315189
C 6.025146 -1.294126 0.471022
C 6.702413 -0.131486 0.028668
H 1.880098 1.876819 0.606178
H 1.880033 1.349187 -1.081086
H -2.740937 1.039187 -2.048376
H -2.516032 0.247083 2.215751
H -0.226937 1.269221 -2.137764
H -0.003898 0.459871 2.127431
H -4.765576 -1.807141 1.901620
H -3.402611 -2.455132 0.892232
H -5.018442 -3.251767 0.883438
H -4.953145 -1.084014 -2.244209
H -5.152049 -2.790120 -1.756072
H -3.524405 -2.026958 -1.638492
H 4.007199 1.931062 -0.489846
H 4.073621 -2.181862 0.909841
H 6.489881 1.926494 -0.655303
H 6.594228 -2.191117 0.737808
H 7.795451 -0.128066 -0.046787


