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	hartrees
Energy at 0K	-727.886475
Energy at 298.15K	-727.892473
Nuclear repulsion energy	286.976290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3075	3051	30.03
2	A	3059	3035	16.90
3	A	3051	3028	1.03
4	A	3004	2981	10.25
5	A	2988	2965	11.68
6	A	1843	1828	401.29
7	A	1489	1477	2.48
8	A	1472	1461	7.04
9	A	1462	1451	5.57
10	A	1394	1384	8.37
11	A	1358	1348	10.70
12	A	1263	1253	0.49
13	A	1139	1130	3.66
14	A	1131	1123	421.59
15	A	1094	1085	63.39
16	A	983	976	38.72
17	A	878	871	106.69
18	A	803	796	1.09
19	A	624	619	14.43
20	A	599	594	89.65
21	A	502	498	4.27
22	A	398	395	21.17
23	A	312	310	6.86
24	A	251	249	0.45
25	A	184	182	0.26
26	A	111	111	0.66
27	A	69	68	0.74

Atom	x (Å)	y (Å)	z (Å)
O1	0.568	0.698	-0.000
H2	1.170	-1.109	-0.894
H3	1.170	-1.109	0.895
C4	1.412	-0.516	0.000
H5	3.074	0.571	-0.894
H6	3.530	-0.906	-0.000
H7	3.074	0.571	0.893
C8	2.859	-0.033	-0.000
O9	-1.473	1.647	0.000
Cl10	-1.517	-1.031	-0.000
C11	-0.770	0.674	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1036	2.1036	1.4781	2.6629	3.3680	2.6630	2.4039	2.2513	2.7082	1.3382
H2	2.1036		1.7888	1.0995	2.5387	2.5318	3.1050	2.1925	3.9218	2.8328	2.7820
H3	2.1036	1.7888		1.0995	3.1050	2.5319	2.5386	2.1925	3.9218	2.8333	2.7821
C4	1.4781	1.0995	1.0995		2.1780	2.1541	2.1780	1.5255	3.6056	2.9731	2.4847
H5	2.6629	2.5387	3.1050	2.1780		1.7854	1.7870	1.0999	4.7569	4.9431	3.9471
H6	3.3680	2.5318	2.5319	2.1541	1.7854		1.7854	1.1012	5.6168	5.0485	4.5807
H7	2.6630	3.1050	2.5386	2.1780	1.7870	1.7854		1.0999	4.7570	4.9435	3.9473
C8	2.4039	2.1925	2.1925	1.5255	1.0999	1.1012	1.0999		4.6459	4.4875	3.6963
O9	2.2513	3.9218	3.9218	3.6056	4.7569	5.6168	4.7570	4.6459		2.6779	1.2009
Cl10	2.7082	2.8328	2.8333	2.9731	4.9431	5.0485	4.9435	4.4875	2.6779		1.8608
C11	1.3382	2.7820	2.7821	2.4847	3.9471	4.5807	3.9473	3.6963	1.2009	1.8608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.501	O1	C4	H3	108.499
O1	C4	C8	106.315	O1	C11	O9	124.828
O1	C11	Cl10	114.700	H2	C4	H3	108.862
H2	C4	C8	112.256	H3	C4	C8	112.256
C4	O1	C11	123.755	C4	C8	H5	111.076
C4	C8	H6	109.117	C4	C8	H7	111.078
H5	C8	H6	108.418	H5	C8	H7	108.657
H6	C8	H7	108.418	O9	C11	Cl10	120.472

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

using model chemistry: BLYP/6-31G**

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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Number	Element	Mulliken
1	O	-0.364
2	H	0.129
3	H	0.129
4	C	0.043
5	H	0.123
6	H	0.110
7	H	0.123
8	C	-0.305
9	O	-0.338
10	Cl	-0.091
11	C	0.441

	x	y	z	Total
	3.565	-1.785	0.000	3.987
CHELPG
AIM
ESP

<r²>	239.248
(<r²>)^1/2	15.468

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

using model chemistry: BLYP/6-31G**

States and conformations

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