%nprocshared=24
%mem=122GB
%chk=carbonate_decomp_wpy.chk
#p opt=(calcfc,ts,noeigentest,maxstep=2) freq wb97xd/6-311g(d,p) scrf=(smd,solvent=chloroform)

ts monomeric decomposition of carbonic acid ester

0 1
C	-1.521956	-1.663157	-0.416221
O	-2.696572	-1.848259	-0.228367
O	-0.497155	-2.280176	-0.583267
O	-1.138507	-0.090979	-0.507499
C	-1.881989	0.937879	0.199954
C	-1.081651	2.229342	0.030627
C	-1.990015	0.568519	1.677332
C	-3.252992	1.094220	-0.449417
H	-0.107677	2.167625	0.523160
H	-1.628621	3.063439	0.477293
H	-0.928032	2.449330	-1.029374
H	-0.994383	0.437941	2.113556
H	-2.553816	-0.357296	1.803526
H	-2.499517	1.362884	2.229781
H	-3.138545	1.310685	-1.515233
H	-3.790529	1.925163	0.016687
H	-3.837133	0.182444	-0.340808
H	0.060203	-0.049984	-0.353142
C	2.076302	0.734139	-1.009295
C	1.856908	-0.680767	0.814969
C	3.446818	0.807488	-0.839331
H	1.562132	1.257331	-1.806760
C	3.218960	-0.651496	1.051845
H	1.171273	-1.264728	1.416310
C	4.025369	0.106062	0.211337
H	4.044631	1.403557	-1.516327
H	3.635943	-1.214340	1.876676
H	5.096379	0.146944	0.371794
N	1.313007	0.005849	-0.192125

