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	hartrees
Energy at 0K	-725.450038
Energy at 298.15K	-725.456255
Nuclear repulsion energy	293.676820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3103	3045	7.52
2	A	3102	3044	4.66
3	A	3046	2989	6.32
4	A	3008	2952	5.88
5	A	2993	2937	8.62
6	A	1925	1889	429.63
7	A	1458	1431	4.96
8	A	1439	1412	7.10
9	A	1426	1400	10.27
10	A	1374	1349	12.89
11	A	1332	1307	22.68
12	A	1254	1231	0.86
13	A	1233	1210	423.21
14	A	1131	1110	4.49
15	A	1121	1100	18.72
16	A	1059	1039	75.07
17	A	913	896	69.26
18	A	791	777	3.11
19	A	653	641	14.43
20	A	652	640	83.90
21	A	526	516	4.20
22	A	444	436	9.17
23	A	328	322	6.00
24	A	259	254	0.38
25	A	196	193	0.07
26	A	125	123	0.50
27	A	78	77	0.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.545	0.691	0.000
H2	1.127	-1.088	-0.892
H3	1.127	-1.089	0.892
C4	1.366	-0.482	-0.000
H5	3.002	0.595	-0.893
H6	3.466	-0.879	0.000
H7	3.002	0.595	0.893
C8	2.787	-0.013	0.000
O9	-1.483	1.599	0.000
Cl10	-1.442	-1.020	-0.000
C11	-0.771	0.644	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0735	2.0735	1.4316	2.6152	3.3163	2.6152	2.3497	2.2222	2.6229	1.3171
H2	2.0735		1.7837	1.1047	2.5197	2.5125	3.0878	2.1703	3.8508	2.7205	2.7198
H3	2.0735	1.7837		1.1047	3.0878	2.5125	2.5197	2.1703	3.8508	2.7204	2.7198
C4	1.4316	1.1047	1.1047		2.1522	2.1374	2.1522	1.4967	3.5282	2.8597	2.4155
H5	2.6152	2.5197	3.0878	2.1522		1.7853	1.7858	1.1011	4.6813	4.8121	3.8770
H6	3.3163	2.5125	2.5125	2.1374	1.7853		1.7853	1.1011	5.5350	4.9108	4.5027
H7	2.6152	3.0878	2.5197	2.1522	1.7858	1.7853		1.1011	4.6813	4.8121	3.8770
C8	2.3497	2.1703	2.1703	1.4967	1.1011	1.1011	1.1011		4.5641	4.3482	3.6183
O9	2.2222	3.8508	3.8508	3.5282	4.6813	5.5350	4.6813	4.5641		2.6200	1.1915
Cl10	2.6229	2.7205	2.7204	2.8597	4.8121	4.9108	4.8121	4.3482	2.6200		1.7945
C11	1.3171	2.7198	2.7198	2.4155	3.8770	4.5027	3.8770	3.6183	1.1915	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.995	O1	C4	H3	108.995
O1	C4	C8	106.698	O1	C11	O9	124.632
O1	C11	Cl10	114.025	H2	C4	H3	107.669
H2	C4	C8	112.208	H3	C4	C8	112.208
C4	O1	C11	122.933	C4	C8	H5	110.971
C4	C8	H6	109.784	C4	C8	H7	110.971
H5	C8	H6	108.327	H5	C8	H7	108.376
H6	C8	H7	108.327	O9	C11	Cl10	121.343

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

using model chemistry: LSDA/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	-0.313
2	H	0.173
3	H	0.173
4	C	-0.083
5	H	0.171
6	H	0.159
7	H	0.171
8	C	-0.455
9	O	-0.317
10	Cl	-0.040
11	C	0.360

	x	y	z	Total
	3.363	-1.963	-0.000	3.894
CHELPG
AIM
ESP

	x	y	z
x	9.091	0.011	0.000
y	0.011	8.057	0.000
z	0.000	0.000	5.021

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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