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	hartrees
Energy at 0K	-65.861911
Energy at 298.15K	-65.867878
HF Energy	-65.291979
Nuclear repulsion energy	124.538964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3136	3060	36.37
2	A	3108	3034	3.61
3	A	3095	3021	24.62
4	A	3039	2966	11.07
5	A	2989	2918	18.39
6	A	1682	1641	463.46
7	A	1534	1497	4.63
8	A	1519	1483	5.97
9	A	1511	1474	7.81
10	A	1462	1427	17.08
11	A	1412	1378	30.98
12	A	1288	1257	0.10
13	A	1172	1144	5.79
14	A	1138	1110	15.22
15	A	1067	1041	471.64
16	A	1007	983	77.66
17	A	853	833	189.83
18	A	832	812	0.36
19	A	579	565	18.78
20	A	568	554	101.33
21	A	487	475	4.22
22	A	379	370	29.26
23	A	303	296	6.15
24	A	243	237	0.85
25	A	178	174	0.70
26	A	97	95	2.71
27	A	88	86	1.43

Atom	x (Å)	y (Å)	z (Å)
O1	-0.231	-0.604	0.001
H2	-1.085	1.128	-0.902
H3	-1.086	1.128	0.902
C4	-1.255	0.524	0.000
H5	-2.730	-0.815	-0.896
H6	-3.419	0.575	-0.001
H7	-2.731	-0.815	0.896
C8	-2.622	-0.187	-0.000
O9	1.996	-1.274	-0.000
Cl10	1.635	1.470	-0.000
C11	1.131	-0.391	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1312	2.1312	1.5231	2.6637	3.3992	2.6638	2.4268	2.3253	2.7896	1.3784
H2	2.1312		1.8040	1.0987	2.5463	2.5624	3.1170	2.2144	4.0087	2.8853	2.8334
H3	2.1312	1.8040		1.0986	3.1169	2.5623	2.5459	2.2142	4.0097	2.8864	2.8344
C4	1.5231	1.0987	1.0986		2.1849	2.1649	2.1849	1.5407	3.7145	3.0404	2.5550
H5	2.6637	2.5463	3.1169	2.1849		1.7917	1.7918	1.0996	4.8319	5.0078	3.9863
H6	3.3992	2.5624	2.5623	2.1649	1.7917		1.7917	1.1031	5.7218	5.1323	4.6514
H7	2.6638	3.1170	2.5459	2.1849	1.7918	1.7917		1.0996	4.8328	5.0083	3.9871
C8	2.4268	2.2144	2.2142	1.5407	1.0996	1.1031	1.0996		4.7436	4.5675	3.7581
O9	2.3253	4.0087	4.0097	3.7145	4.8319	5.7218	4.8328	4.7436		2.7676	1.2360
Cl10	2.7896	2.8853	2.8864	3.0404	5.0078	5.1323	5.0083	4.5675	2.7676		1.9280
C11	1.3784	2.8334	2.8344	2.5550	3.9863	4.6514	3.9871	3.7581	1.2360	1.9280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	107.650	O1	C4	H3	107.657
O1	C4	C8	104.760	O1	C11	O9	125.517
O1	C11	Cl10	114.036	H2	C4	H3	110.361
H2	C4	C8	112.993	H3	C4	C8	112.987
C4	O1	C11	123.346	C4	C8	H5	110.581
C4	C8	H6	108.812	C4	C8	H7	110.573
H5	C8	H6	108.858	H5	C8	H7	109.123
H6	C8	H7	108.854	O9	C11	Cl10	120.447

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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