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	hartrees
Energy at 0K	-727.984150
Energy at 298.15K	-727.990347
Nuclear repulsion energy	290.620429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3153	3030	27.30
2	A	3139	3016	15.93
3	A	3129	3007	1.72
4	A	3079	2959	11.12
5	A	3063	2943	11.04
6	A	1919	1844	487.12
7	A	1529	1469	3.66
8	A	1511	1452	5.29
9	A	1499	1440	6.19
10	A	1438	1382	12.38
11	A	1404	1349	7.81
12	A	1307	1256	0.75
13	A	1205	1158	514.81
14	A	1178	1132	4.17
15	A	1139	1094	22.71
16	A	1036	995	62.08
17	A	925	889	102.45
18	A	825	793	0.90
19	A	663	637	19.56
20	A	638	613	93.52
21	A	525	504	3.90
22	A	437	419	14.54
23	A	326	313	6.00
24	A	259	249	0.52
25	A	191	183	0.17
26	A	110	106	0.66
27	A	74	71	0.75

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	0.679	-0.000
H2	-1.166	-1.103	0.889
H3	-1.166	-1.105	-0.887
C4	-1.397	-0.510	0.000
H5	-3.042	0.578	0.887
H6	-3.506	-0.887	0.000
H7	-3.041	0.577	-0.888
C8	-2.833	-0.025	-0.000
O9	1.459	1.621	0.000
Cl10	1.500	-1.010	-0.000
C11	0.766	0.655	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0823	2.0822	1.4549	2.6387	3.3379	2.6387	2.3806	2.2265	2.6630	1.3246
H2	2.0823		1.7759	1.0928	2.5188	2.5123	3.0817	2.1749	3.8862	2.8125	2.7592
H3	2.0822	1.7759		1.0928	3.0817	2.5123	2.5188	2.1750	3.8864	2.8114	2.7593
C4	1.4549	1.0928	1.0928		2.1624	2.1428	2.1623	1.5156	3.5633	2.9400	2.4565
H5	2.6387	2.5188	3.0817	2.1624		1.7747	1.7751	1.0929	4.7040	4.8928	3.9101
H6	3.3379	2.5123	2.5123	2.1428	1.7747		1.7746	1.0941	5.5626	5.0081	4.5418
H7	2.6387	3.0817	2.5188	2.1623	1.7751	1.7746		1.0929	4.7043	4.8922	3.9102
C8	2.3806	2.1749	2.1750	1.5156	1.0929	1.0941	1.0929		4.5964	4.4436	3.6622
O9	2.2265	3.8862	3.8864	3.5633	4.7040	5.5626	4.7043	4.5964		2.6314	1.1890
Cl10	2.6630	2.8125	2.8114	2.9400	4.8928	5.0081	4.8922	4.4436	2.6314		1.8197
C11	1.3246	2.7592	2.7593	2.4565	3.9101	4.5418	3.9102	3.6622	1.1890	1.8197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.806	O1	C4	H3	108.804
O1	C4	C8	106.513	O1	C11	O9	124.608
O1	C11	Cl10	114.849	H2	C4	H3	108.692
H2	C4	C8	111.958	H3	C4	C8	111.966
C4	O1	C11	124.142	C4	C8	H5	110.944
C4	C8	H6	109.323	C4	C8	H7	110.939
H5	C8	H6	108.485	H5	C8	H7	108.605
H6	C8	H7	108.475	O9	C11	Cl10	120.543

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

using model chemistry: B3LYP/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	-0.405
2	H	0.139
3	H	0.139
4	C	0.033
5	H	0.135
6	H	0.121
7	H	0.135
8	C	-0.339
9	O	-0.367
10	Cl	-0.072
11	C	0.482

	x	y	z	Total
	-3.463	-2.059	0.001	4.029
CHELPG
AIM
ESP

	x	y	z
x	8.809	-0.053	-0.001
y	-0.053	7.906	0.001
z	-0.001	0.001	4.894

<r²>	234.373
(<r²>)^1/2	15.309

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

using model chemistry: B3LYP/6-31G**

States and conformations

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