%nprocshared=32
%mem=48GB
%chk=freq_mecp2_sing.chk
# freq=(projected)  wb97xd/gen scrf=(smd,solvent=n,n-dimethylformamide)

mecp singlet

0 1
   C   -0.83303943   -0.52159454    1.03627636
   C   -0.05007402    1.29564852   -0.32015374
   C    0.19068819    0.12263290    0.41379970
   S   -1.92509635    2.38273371   -2.37830748
   S   -1.58914417    2.08878948   -0.32151573
   S   -2.40119459    0.51899207   -3.16144031
   S   -4.45498606    0.38667250   -3.40589860
   S   -5.28782897   -0.26235170   -1.60547710
   S   -6.37615225    1.32880424   -0.84508125
   S   -5.09915200    2.54227576    0.31609843
   S   -4.69924013    1.65224246    2.04832858
   O   -1.67823692   -1.09115892    1.58105798
   H    0.76373914    1.72839165   -0.89465898
   C    1.54938026   -0.47479978    0.56419680
   C    1.72822620   -1.86243272    0.55966702
   C    2.66073992    0.36643834    0.68419510
   C    3.00605461   -2.39993420    0.67004372
   H    0.87495108   -2.52612754    0.44764785
   C    3.93727589   -0.17870447    0.77313497
   H    2.52733030    1.44327862    0.71221397
   C    4.11370773   -1.56054283    0.76862486
   H    3.13551903   -3.47735067    0.66425753
   H    4.79575875    0.48095287    0.85261143
   H    5.11077402   -1.98285606    0.84038049

-S C O H
6-31g(d,p)
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