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	hartrees
Energy at 0K	-725.817112
Energy at 298.15K	-725.823698
Nuclear repulsion energy	295.092342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3289	2988	41.60
2	A	3253	2956	7.74
3	A	3250	2953	38.93
4	A	3227	2932	8.89
5	A	3180	2889	18.76
6	A	2064	1875	776.79
7	A	1648	1497	4.57
8	A	1618	1470	1.28
9	A	1599	1453	6.29
10	A	1568	1425	22.72
11	A	1526	1386	5.74
12	A	1431	1300	1.37
13	A	1328	1206	677.55
14	A	1283	1165	5.11
15	A	1239	1125	52.60
16	A	1128	1024	121.10
17	A	1011	919	99.57
18	A	890	809	0.00
19	A	760	691	37.61
20	A	709	644	104.01
21	A	566	514	5.03
22	A	507	460	8.81
23	A	352	320	5.67
24	A	281	255	0.69
25	A	203	185	0.12
26	A	103	94	0.06
27	A	94	85	1.63

Atom	x (Å)	y (Å)	z (Å)
O1	-0.547	0.642	-0.000
H2	-1.175	-1.108	0.880
H3	-1.175	-1.108	-0.880
C4	-1.388	-0.517	0.000
H5	-3.010	0.582	0.880
H6	-3.492	-0.867	0.000
H7	-3.010	0.582	-0.880
C8	-2.814	-0.019	-0.000
O9	1.420	1.587	0.000
Cl10	1.504	-0.972	-0.000
C11	0.754	0.638	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0570	2.0570	1.4325	2.6164	3.3088	2.6164	2.3617	2.1824	2.6103	1.3007
H2	2.0570		1.7604	1.0811	2.4949	2.4902	3.0536	2.1563	3.8431	2.8229	2.7458
H3	2.0570	1.7604		1.0811	3.0536	2.4902	2.4949	2.1563	3.8432	2.8228	2.7458
C4	1.4325	1.0811	1.0811		2.1483	2.1325	2.1484	1.5111	3.5092	2.9276	2.4332
H5	2.6164	2.4949	3.0536	2.1483		1.7625	1.7607	1.0837	4.6274	4.8548	3.8657
H6	3.3088	2.4902	2.4902	2.1325	1.7625		1.7625	1.0854	5.4907	4.9968	4.5040
H7	2.6164	3.0536	2.4949	2.1484	1.7607	1.7625		1.0837	4.6275	4.8547	3.8658
C8	2.3617	2.1563	2.1563	1.5111	1.0837	1.0854	1.0837		4.5289	4.4224	3.6279
O9	2.1824	3.8431	3.8432	3.5092	4.6274	5.4907	4.6275	4.5289		2.5606	1.1600
Cl10	2.6103	2.8229	2.8228	2.9276	4.8548	4.9968	4.8547	4.4224	2.5606		1.7762
C11	1.3007	2.7458	2.7458	2.4332	3.8657	4.5040	3.8658	3.6279	1.1600	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.039	O1	C4	H3	109.041
O1	C4	C8	106.677	O1	C11	O9	124.871
O1	C11	Cl10	115.196	H2	C4	H3	109.011
H2	C4	C8	111.500	H3	C4	C8	111.499
C4	O1	C11	125.741	C4	C8	H5	110.700
C4	C8	H6	109.337	C4	C8	H7	110.701
H5	C8	H6	108.699	H5	C8	H7	108.655
H6	C8	H7	108.699	O9	C11	Cl10	119.933

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

using model chemistry: HF/6-311G**

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	-0.395
2	H	0.123
3	H	0.123
4	C	0.049
5	H	0.111
6	H	0.099
7	H	0.111
8	C	-0.247
9	O	-0.371
10	Cl	-0.139
11	C	0.537

	x	y	z	Total
	-3.500	-2.586	0.000	4.352
CHELPG
AIM
ESP

	x	y	z
x	8.137	-0.108	0.000
y	-0.108	7.513	0.000
z	0.000	0.000	4.777

<r²>	230.213
(<r²>)^1/2	15.173

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

using model chemistry: HF/6-311G**

States and conformations

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