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	hartrees
Energy at 0K	-722.151780
Energy at 298.15K	-722.158141
Nuclear repulsion energy	291.554462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3325	3001	26.09
2	A	3294	2973	1.43
3	A	3288	2968	19.90
4	A	3262	2945	5.63
5	A	3221	2907	11.82
6	A	2003	1808	578.10
7	A	1684	1520	5.85
8	A	1669	1507	7.02
9	A	1655	1494	7.08
10	A	1583	1429	10.45
11	A	1542	1391	19.19
12	A	1433	1293	0.28
13	A	1285	1160	8.38
14	A	1277	1153	564.72
15	A	1239	1118	38.15
16	A	1070	965	87.60
17	A	980	885	162.16
18	A	913	824	0.78
19	A	738	666	46.15
20	A	660	596	129.93
21	A	548	494	4.94
22	A	472	426	16.63
23	A	337	304	8.49
24	A	261	236	1.02
25	A	191	173	0.11
26	A	90	81	0.97
27	A	74	66	2.37

Atom	x (Å)	y (Å)	z (Å)
O1	-0.553	0.633	0.000
H2	-1.215	-1.133	0.882
H3	-1.214	-1.134	-0.880
C4	-1.422	-0.548	0.000
H5	-2.997	0.614	0.878
H6	-3.551	-0.813	-0.000
H7	-2.997	0.613	-0.879
C8	-2.839	0.004	-0.000
O9	1.443	1.614	-0.000
Cl10	1.518	-0.984	-0.000
C11	0.769	0.644	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0825	2.0825	1.4660	2.5973	3.3283	2.5972	2.3709	2.2244	2.6273	1.3220
H2	2.0825		1.7622	1.0783	2.4956	2.5171	3.0537	2.1696	3.9236	2.8753	2.8057
H3	2.0825	1.7622		1.0783	3.0537	2.5171	2.4957	2.1695	3.9234	2.8743	2.8053
C4	1.4660	1.0783	1.0783		2.1450	2.1454	2.1450	1.5204	3.5892	2.9715	2.4936
H5	2.5973	2.4956	3.0537	2.1450		1.7641	1.7573	1.0811	4.6361	4.8690	3.8674
H6	3.3283	2.5171	2.5171	2.1454	1.7641		1.7641	1.0832	5.5527	5.0711	4.5586
H7	2.5972	3.0537	2.4957	2.1450	1.7573	1.7641		1.0811	4.6358	4.8684	3.8671
C8	2.3709	2.1696	2.1695	1.5204	1.0811	1.0832	1.0811		4.5751	4.4668	3.6640
O9	2.2244	3.9236	3.9234	3.5892	4.6361	5.5527	4.6358	4.5751		2.5992	1.1819
Cl10	2.6273	2.8753	2.8743	2.9715	4.8690	5.0711	4.8684	4.4668	2.5992		1.7914
C11	1.3220	2.8057	2.8053	2.4936	3.8674	4.5586	3.8671	3.6640	1.1819	1.7914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.915	O1	C4	H3	108.914
O1	C4	C8	105.086	O1	C11	O9	125.244
O1	C11	Cl10	114.252	H2	C4	H3	109.595
H2	C4	C8	112.081	H3	C4	C8	112.078
C4	O1	C11	126.787	C4	C8	H5	109.931
C4	C8	H6	109.839	C4	C8	H7	109.933
H5	C8	H6	109.192	H5	C8	H7	108.729
H6	C8	H7	109.192	O9	C11	Cl10	120.504

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

using model chemistry: HF/3-21G*

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	-0.696	-0.533
2	H	0.243	-0.006
3	H	0.243	-0.006
4	C	-0.102	0.439
5	H	0.238	0.115
6	H	0.213	0.097
7	H	0.238	0.115
8	C	-0.606	-0.367
9	O	-0.537	-0.549
10	Cl	-0.067	-0.226
11	C	0.834	0.922

	x	y	z	Total
	-3.509	-2.879	0.000	4.539
CHELPG	-3.516	-2.763	0.000	4.472
AIM
ESP

	x	y	z
x	7.416	0.011	-0.000
y	0.011	6.894	0.000
z	-0.000	0.000	4.171

<r²>	234.920
(<r²>)^1/2	15.327

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

using model chemistry: HF/3-21G*

States and conformations

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