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	hartrees
Energy at 0K	-725.730557
Energy at 298.15K	-725.737108
Nuclear repulsion energy	294.846539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3309	2986	42.52
2	A	3280	2961	3.41
3	A	3275	2956	32.11
4	A	3243	2927	12.76
5	A	3201	2889	18.08
6	A	2076	1873	723.22
7	A	1655	1494	3.20
8	A	1627	1469	1.43
9	A	1611	1454	4.97
10	A	1572	1419	18.09
11	A	1533	1384	6.65
12	A	1425	1286	1.44
13	A	1347	1215	673.00
14	A	1286	1161	5.36
15	A	1243	1122	52.09
16	A	1133	1023	111.64
17	A	1015	916	85.24
18	A	888	802	0.02
19	A	757	683	40.39
20	A	716	646	90.44
21	A	569	514	4.47
22	A	511	461	7.29
23	A	353	318	5.50
24	A	279	252	0.73
25	A	203	183	0.09
26	A	101	91	0.46
27	A	86	78	1.24

Atom	x (Å)	y (Å)	z (Å)
O1	-0.549	0.637	0.000
H2	-1.179	-1.112	0.880
H3	-1.179	-1.113	-0.880
C4	-1.391	-0.521	0.000
H5	-3.011	0.585	0.880
H6	-3.498	-0.861	-0.000
H7	-3.010	0.585	-0.880
C8	-2.817	-0.017	-0.000
O9	1.418	1.592	-0.000
Cl10	1.509	-0.969	-0.000
C11	0.755	0.631	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0576	2.0576	1.4325	2.6144	3.3081	2.6144	2.3605	2.1863	2.6107	1.3040
H2	2.0576		1.7598	1.0811	2.4970	2.4932	3.0548	2.1582	3.8514	2.8322	2.7486
H3	2.0576	1.7598		1.0811	3.0548	2.4932	2.4970	2.1582	3.8514	2.8320	2.7485
C4	1.4325	1.0811	1.0811		2.1493	2.1342	2.1493	1.5124	3.5153	2.9346	2.4359
H5	2.6144	2.4970	3.0548	2.1493		1.7616	1.7597	1.0833	4.6259	4.8595	3.8670
H6	3.3081	2.4932	2.4932	2.1342	1.7616		1.7616	1.0849	5.4942	5.0084	4.5073
H7	2.6144	3.0548	2.4970	2.1493	1.7597	1.7616		1.0833	4.6259	4.8593	3.8670
C8	2.3605	2.1582	2.1582	1.5124	1.0833	1.0849	1.0833		4.5302	4.4296	3.6302
O9	2.1863	3.8514	3.8514	3.5153	4.6259	5.4942	4.6259	4.5302		2.5625	1.1675
Cl10	2.6107	2.8322	2.8320	2.9346	4.8595	5.0084	4.8593	4.4296	2.5625		1.7687
C11	1.3040	2.7486	2.7485	2.4359	3.8670	4.5073	3.8670	3.6302	1.1675	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.086	O1	C4	H3	109.086
O1	C4	C8	106.525	O1	C11	O9	124.320
O1	C11	Cl10	115.521	H2	C4	H3	108.952
H2	C4	C8	111.559	H3	C4	C8	111.559
C4	O1	C11	125.728	C4	C8	H5	110.705
C4	C8	H6	109.409	C4	C8	H7	110.705
H5	C8	H6	108.673	H5	C8	H7	108.622
H6	C8	H7	108.673	O9	C11	Cl10	120.159

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

using model chemistry: HF/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	CHELPG
1	O	-0.575	-0.465
2	H	0.148	-0.033
3	H	0.148	-0.033
4	C	0.079	0.472
5	H	0.144	0.096
6	H	0.127	0.077
7	H	0.144	0.096
8	C	-0.354	-0.311
9	O	-0.465	-0.530
10	Cl	-0.056	-0.201
11	C	0.662	0.832

	x	y	z	Total
	-3.429	-2.704	0.000	4.366
CHELPG
AIM
ESP

	x	y	z
x	7.728	-0.032	0.000
y	-0.032	7.263	0.000
z	0.000	0.000	4.745

<r²>	230.407
(<r²>)^1/2	15.179

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

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

States and conformations

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