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	hartrees
Energy at 0K	-726.164519
Energy at 298.15K	-726.170440
HF Energy	-725.590583
Nuclear repulsion energy	280.263178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3185	3074	34.71
2	A	3158	3048	4.86
3	A	3143	3034	23.73
4	A	3094	2986	11.78
5	A	3040	2934	18.14
6	A	1729	1669	487.97
7	A	1544	1491	5.72
8	A	1536	1483	6.52
9	A	1525	1472	8.94
10	A	1469	1418	18.65
11	A	1418	1369	28.07
12	A	1305	1260	0.00
13	A	1184	1143	6.33
14	A	1145	1105	13.63
15	A	1079	1042	460.16
16	A	1014	978	56.96
17	A	851	822	1.26
18	A	846	817	193.68
19	A	585	565	20.17
20	A	566	546	102.54
21	A	484	468	4.29
22	A	366	353	33.62
23	A	303	292	7.39
24	A	248	239	0.83
25	A	182	175	0.67
26	A	103	99	2.85
27	A	82	79	1.43

Atom	x (Å)	y (Å)	z (Å)
O1	-0.596	0.722	-0.000
H2	-1.187	-1.116	0.903
H3	-1.187	-1.117	-0.901
C4	-1.443	-0.541	0.000
H5	-3.098	0.569	0.896
H6	-3.575	-0.910	0.000
H7	-3.098	0.568	-0.897
C8	-2.896	-0.038	-0.000
O9	1.508	1.704	0.000
Cl10	1.544	-1.074	-0.000
C11	0.773	0.721	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1313	2.1313	1.5205	2.6621	3.3967	2.6622	2.4223	2.3218	2.7936	1.3686
H2	2.1313		1.8040	1.1000	2.5473	2.5609	3.1184	2.2124	4.0037	2.8768	2.8333
H3	2.1313	1.8040		1.0999	3.1182	2.5608	2.5471	2.2123	4.0041	2.8764	2.8335
C4	1.5205	1.1000	1.0999		2.1849	2.1639	2.1849	1.5375	3.7076	3.0339	2.5494
H5	2.6621	2.5473	3.1182	2.1849		1.7936	1.7935	1.1014	4.8276	5.0048	3.9758
H6	3.3967	2.5609	2.5608	2.1639	1.7936		1.7936	1.1049	5.7157	5.1216	4.6433
H7	2.6622	3.1184	2.5471	2.1849	1.7935	1.7936		1.1014	4.8280	5.0045	3.9759
C8	2.4223	2.2124	2.2123	1.5375	1.1014	1.1049	1.1014		4.7360	4.5589	3.7461
O9	2.3218	4.0037	4.0041	3.7076	4.8276	5.7157	4.8280	4.7360		2.7778	1.2279
Cl10	2.7936	2.8768	2.8764	3.0339	5.0048	5.1216	5.0045	4.5589	2.7778		1.9531
C11	1.3686	2.8333	2.8335	2.5494	3.9758	4.6433	3.9759	3.7461	1.2279	1.9531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	107.756	O1	C4	H3	107.764
O1	C4	C8	104.765	O1	C11	O9	126.737
O1	C11	Cl10	113.321	H2	C4	H3	110.177
H2	C4	C8	112.988	H3	C4	C8	112.984
C4	O1	C11	123.782	C4	C8	H5	110.697
C4	C8	H6	108.856	C4	C8	H7	110.692
H5	C8	H6	108.769	H5	C8	H7	109.014
H6	C8	H7	108.767	O9	C11	Cl10	119.942

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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