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	hartrees
Energy at 0K	-726.743947
Energy at 298.15K	-726.750336
HF Energy	-725.806173
Nuclear repulsion energy	292.675124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3047	24.27
2	A	3188	3030	13.42
3	A	3184	3026	0.68
4	A	3123	2968	11.70
5	A	3096	2942	10.48
6	A	1888	1794	469.63
7	A	1558	1481	6.19
8	A	1537	1461	5.51
9	A	1523	1448	9.58
10	A	1463	1390	24.26
11	A	1431	1360	8.35
12	A	1346	1279	0.44
13	A	1213	1152	517.70
14	A	1207	1147	4.06
15	A	1166	1108	29.28
16	A	1070	1017	83.41
17	A	947	900	104.42
18	A	846	804	0.42
19	A	676	642	16.73
20	A	658	625	91.80
21	A	537	510	2.79
22	A	460	438	12.51
23	A	339	322	5.09
24	A	273	260	0.54
25	A	204	194	0.09
26	A	109	104	0.63
27	A	105	100	0.99

Atom	x (Å)	y (Å)	z (Å)
O1	-0.543	0.711	-0.000
H2	-1.127	-1.072	0.889
H3	-1.127	-1.072	-0.889
C4	-1.361	-0.485	-0.000
H5	-2.997	0.596	0.887
H6	-3.462	-0.868	0.000
H7	-2.997	0.596	-0.887
C8	-2.792	-0.005	0.000
O9	1.509	1.586	0.000
Cl10	1.426	-1.031	0.000
C11	0.778	0.650	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0760	2.0760	1.4482	2.6113	3.3176	2.6113	2.3595	2.2312	2.6283	1.3228
H2	2.0760		1.7775	1.0909	2.5060	2.5062	3.0712	2.1683	3.8479	2.7033	2.7179
H3	2.0760	1.7775		1.0909	3.0712	2.5062	2.5060	2.1683	3.8479	2.7033	2.7179
C4	1.4482	1.0909	1.0909		2.1517	2.1350	2.1517	1.5091	3.5391	2.8397	2.4216
H5	2.6113	2.5060	3.0712	2.1517		1.7736	1.7737	1.0906	4.6976	4.7948	3.8780
H6	3.3176	2.5062	2.5062	2.1350	1.7736		1.7736	1.0925	5.5431	4.8898	4.5031
H7	2.6113	3.0712	2.5060	2.1517	1.7737	1.7736		1.0906	4.6976	4.7948	3.8780
C8	2.3595	2.1683	2.1683	1.5091	1.0906	1.0925	1.0906		4.5855	4.3404	3.6295
O9	2.2312	3.8479	3.8479	3.5391	4.6976	5.5431	4.6976	4.5855		2.6180	1.1874
Cl10	2.6283	2.7033	2.7033	2.8397	4.7948	4.8898	4.7948	4.3404	2.6180		1.8012
C11	1.3228	2.7179	2.7179	2.4216	3.8780	4.5031	3.8780	3.6295	1.1874	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.875	O1	C4	H3	108.875
O1	C4	C8	105.836	O1	C11	O9	125.370
O1	C11	Cl10	113.682	H2	C4	H3	109.107
H2	C4	C8	112.011	H3	C4	C8	112.011
C4	O1	C11	121.771	C4	C8	H5	110.693
C4	C8	H6	109.255	C4	C8	H7	110.693
H5	C8	H6	108.667	H5	C8	H7	108.815
H6	C8	H7	108.667	O9	C11	Cl10	120.948

All results from a given calculation for C₃H₅ClO₂ (Carbonochloridic acid, ethyl ester)

using model chemistry: MP2/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H5ClO2 (Carbonochloridic acid, ethyl ester)

using model chemistry: MP2/6-311G*

States and conformations

All results from a given calculation for C₃H₅ClO₂ (Carbonochloridic acid, ethyl ester)