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	hartrees
Energy at 0K	-65.301686
Energy at 298.15K	-65.308020
Nuclear repulsion energy	127.596083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3310	3021	46.87
2	A	3275	2989	9.20
3	A	3263	2978	41.54
4	A	3227	2945	13.27
5	A	3169	2892	24.76
6	A	1890	1724	784.06
7	A	1654	1509	6.47
8	A	1636	1492	5.11
9	A	1621	1479	8.09
10	A	1571	1434	18.15
11	A	1529	1395	18.66
12	A	1406	1283	1.46
13	A	1281	1169	8.74
14	A	1243	1134	538.74
15	A	1230	1123	119.59
16	A	1100	1004	89.68
17	A	969	885	204.87
18	A	895	817	0.22
19	A	694	633	47.97
20	A	647	591	114.14
21	A	533	487	11.02
22	A	470	429	9.71
23	A	331	302	6.94
24	A	253	230	1.02
25	A	182	166	0.59
26	A	96	87	1.50
27	A	73	67	2.58

Atom	x (Å)	y (Å)	z (Å)
O1	0.218	-0.528	0.000
H2	1.103	1.140	0.885
H3	1.103	1.141	-0.884
C4	1.246	0.535	0.000
H5	2.686	-0.810	0.880
H6	3.388	0.548	-0.000
H7	2.686	-0.810	-0.880
C8	2.587	-0.186	-0.000
O9	-1.907	-1.262	-0.000
Cl10	-1.679	1.375	-0.000
C11	-1.104	-0.374	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0853	2.0853	1.4789	2.6354	3.3473	2.6354	2.3934	2.2480	2.6869	1.3308
H2	2.0853		1.7691	1.0814	2.5121	2.5208	3.0698	2.1780	3.9514	2.9286	2.8190
H3	2.0853	1.7691		1.0814	3.0698	2.5208	2.5121	2.1780	3.9513	2.9283	2.8189
C4	1.4789	1.0814	1.0814		2.1579	2.1416	2.1579	1.5222	3.6292	3.0434	2.5199
H5	2.6354	2.5121	3.0698	2.1579		1.7634	1.7596	1.0832	4.6980	4.9602	3.9152
H6	3.3473	2.5208	2.5208	2.1416	1.7634		1.7634	1.0862	5.5952	5.1338	4.5853
H7	2.6354	3.0698	2.5121	2.1579	1.7596	1.7634		1.0832	4.6980	4.9600	3.9151
C8	2.3934	2.1780	2.1780	1.5222	1.0832	1.0862	1.0832		4.6205	4.5424	3.6955
O9	2.2480	3.9514	3.9513	3.6292	4.6980	5.5952	4.6980	4.6205		2.6475	1.1972
Cl10	2.6869	2.9286	2.9283	3.0434	4.9602	5.1338	4.9600	4.5424	2.6475		1.8415
C11	1.3308	2.8190	2.8189	2.5199	3.9152	4.5853	3.9151	3.6955	1.1972	1.8415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.071	O1	C4	H3	108.069
O1	C4	C8	105.778	O1	C11	O9	125.472
O1	C11	Cl10	114.824	H2	C4	H3	109.765
H2	C4	C8	112.451	H3	C4	C8	112.450
C4	O1	C11	127.423	C4	C8	H5	110.709
C4	C8	H6	109.241	C4	C8	H7	110.709
H5	C8	H6	108.757	H5	C8	H7	108.621
H6	C8	H7	108.756	O9	C11	Cl10	119.704

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

using model chemistry: HF/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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Number	Element	Mulliken
1	O	-0.322
2	H	0.174
3	H	0.174
4	C	-0.026
5	H	0.172
6	H	0.155
7	H	0.172
8	C	-0.436
9	O	-0.176
10	Cl	-0.055
11	C	0.167

	x	y	z	Total
	4.462	2.461	0.000	5.096
CHELPG
AIM
ESP

	x	y	z
x	8.114	-0.096	0.000
y	-0.096	7.952	0.000
z	0.000	0.000	4.626

<r²>	169.284
(<r²>)^1/2	13.011

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

using model chemistry: HF/CEP-121G

States and conformations

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