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	hartrees
Energy at 0K	-725.563376
Energy at 298.15K	-725.569725
Nuclear repulsion energy	288.947613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3339	3015	27.21
2	A	3303	2982	5.03
3	A	3289	2970	25.09
4	A	3266	2949	4.29
5	A	3212	2900	16.35
6	A	1971	1779	730.47
7	A	1675	1512	5.12
8	A	1655	1495	6.03
9	A	1640	1480	8.03
10	A	1591	1437	12.46
11	A	1553	1402	16.37
12	A	1429	1290	0.71
13	A	1294	1169	9.46
14	A	1277	1153	623.98
15	A	1246	1125	36.24
16	A	1105	997	64.54
17	A	976	882	207.90
18	A	913	825	0.48
19	A	708	639	53.24
20	A	644	581	138.95
21	A	543	490	12.15
22	A	463	418	14.38
23	A	337	304	8.70
24	A	261	236	1.19
25	A	185	167	0.47
26	A	102	92	2.44
27	A	74	67	2.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.569	0.626	-0.000
H2	1.217	-1.137	-0.881
H3	1.217	-1.137	0.881
C4	1.440	-0.557	-0.000
H5	3.031	0.582	-0.877
H6	3.553	-0.850	0.000
H7	3.031	0.582	0.877
C8	2.852	-0.023	0.000
O9	-1.413	1.649	0.000
Cl10	-1.564	-0.988	0.000
C11	-0.745	0.672	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0747	2.0747	1.4698	2.6138	3.3290	2.6138	2.3737	2.2304	2.6747	1.3146
H2	2.0747		1.7628	1.0780	2.4991	2.5132	3.0560	2.1659	3.9312	2.9207	2.8097
H3	2.0747	1.7628		1.0780	3.0559	2.5132	2.4991	2.1659	3.9311	2.9206	2.8097
C4	1.4698	1.0780	1.0780		2.1445	2.1328	2.1446	1.5097	3.6069	3.0346	2.5069
H5	2.6138	2.4991	3.0559	2.1445		1.7588	1.7548	1.0809	4.6534	4.9341	3.8772
H6	3.3290	2.5132	2.5132	2.1328	1.7588		1.7588	1.0837	5.5591	5.1185	4.5590
H7	2.6138	3.0560	2.4991	2.1446	1.7548	1.7588		1.0809	4.6533	4.9340	3.8771
C8	2.3737	2.1659	2.1659	1.5097	1.0809	1.0837	1.0809		4.5812	4.5200	3.6634
O9	2.2304	3.9312	3.9311	3.6069	4.6534	5.5591	4.6533	4.5812		2.6415	1.1842
Cl10	2.6747	2.9207	2.9206	3.0346	4.9341	5.1185	4.9340	4.5200	2.6415		1.8505
C11	1.3146	2.8097	2.8097	2.5069	3.8772	4.5590	3.8771	3.6634	1.1842	1.8505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.053	O1	C4	H3	108.054
O1	C4	C8	105.621	O1	C11	O9	126.315
O1	C11	Cl10	114.293	H2	C4	H3	109.685
H2	C4	C8	112.579	H3	C4	C8	112.578
C4	O1	C11	128.323	C4	C8	H5	110.660
C4	C8	H6	109.558	C4	C8	H7	110.661
H5	C8	H6	108.692	H5	C8	H7	108.525
H6	C8	H7	108.692	O9	C11	Cl10	119.392

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	-0.684	-0.612
2	H	0.204	-0.006
3	H	0.204	-0.006
4	C	0.017	0.481
5	H	0.192	0.103
6	H	0.169	0.078
7	H	0.192	0.103
8	C	-0.460	-0.311
9	O	-0.440	-0.604
10	Cl	0.007	-0.279
11	C	0.599	1.054

	x	y	z	Total
	4.072	-2.912	0.000	5.006
CHELPG	4.077	-2.828	0.000	4.962
AIM
ESP

	x	y	z
x	7.687	0.139	-0.000
y	0.139	7.516	0.000
z	-0.000	0.000	4.212

<r²>	239.403
(<r²>)^1/2	15.473

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)