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	hartrees
Energy at 0K	-282.678123
Energy at 298.15K	-282.684087
Nuclear repulsion energy	211.922164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3063	40.69
2	A	3159	3037	1.85
3	A	3154	3032	26.26
4	A	3102	2982	10.88
5	A	3063	2944	14.65
6	A	1805	1735	540.93
7	A	1529	1470	9.39
8	A	1517	1458	9.86
9	A	1505	1447	12.59
10	A	1451	1394	22.64
11	A	1403	1349	13.09
12	A	1297	1246	0.08
13	A	1171	1126	6.95
14	A	1141	1097	52.68
15	A	1125	1081	413.76
16	A	1025	985	40.89
17	A	861	827	160.70
18	A	831	799	3.61
19	A	616	592	20.62
20	A	585	562	99.16
21	A	492	473	6.66
22	A	392	377	21.90
23	A	308	296	8.14
24	A	245	235	0.64
25	A	177	170	0.69
26	A	112	107	1.87
27	A	66	64	1.32

Atom	x (Å)	y (Å)	z (Å)
O1	-0.146	-0.510	-0.000
H2	-1.110	1.142	-0.893
H3	-1.109	1.140	0.894
C4	-1.232	0.522	0.000
H5	-2.622	-0.888	-0.890
H6	-3.381	0.453	0.000
H7	-2.622	-0.889	0.889
C8	-2.542	-0.255	-0.000
O9	2.074	-1.052	0.000
Cl10	1.576	1.627	-0.000
C11	1.171	-0.244	-0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1099	2.1099	1.4982	2.6581	3.3752	2.6581	2.4098	2.2850	2.7439	1.3434
H2	2.1099		1.7873	1.0941	2.5309	2.5356	3.0957	2.1904	3.9679	2.8712	2.8138
H3	2.1099	1.7873		1.0941	3.0957	2.5356	2.5309	2.1904	3.9673	2.8720	2.8136
C4	1.4982	1.0941	1.0941		2.1702	2.1493	2.1702	1.5224	3.6618	3.0179	2.5224
H5	2.6581	2.5309	3.0957	2.1702		1.7795	1.7781	1.0948	4.7822	4.9736	3.9488
H6	3.3752	2.5356	2.5356	2.1493	1.7795		1.7795	1.0974	5.6585	5.0935	4.6048
H7	2.6581	3.0957	2.5309	2.1702	1.7781	1.7795		1.0948	4.7819	4.9740	3.9487
C8	2.4098	2.1904	2.1904	1.5224	1.0948	1.0974	1.0948		4.6844	4.5273	3.7131
O9	2.2850	3.9679	3.9673	3.6618	4.7822	5.6585	4.7819	4.6844		2.7250	1.2118
Cl10	2.7439	2.8712	2.8720	3.0179	4.9736	5.0935	4.9740	4.5273	2.7250		1.9140
C11	1.3434	2.8138	2.8136	2.5224	3.9488	4.6048	3.9487	3.7131	1.2118	1.9140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	107.946	O1	C4	H3	107.942
O1	C4	C8	105.837	O1	C11	O9	126.748
O1	C11	Cl10	113.625	H2	C4	H3	109.535
H2	C4	C8	112.654	H3	C4	C8	112.654
C4	O1	C11	125.079	C4	C8	H5	110.979
C4	C8	H6	109.176	C4	C8	H7	110.980
H5	C8	H6	108.525	H5	C8	H7	108.589
H6	C8	H7	108.525	O9	C11	Cl10	119.628

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

using model chemistry: B3LYP/LANL2DZ

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	-0.219
2	H	0.233
3	H	0.233
4	C	-0.193
5	H	0.226
6	H	0.203
7	H	0.226
8	C	-0.607
9	O	-0.143
10	Cl	-0.103
11	C	0.144

	x	y	z	Total
	-4.493	1.468	0.001	4.727
CHELPG
AIM
ESP

	x	y	z
x	8.612	0.143	-0.001
y	0.143	8.034	-0.002
z	-0.001	-0.002	4.130

<r²>	202.078
(<r²>)^1/2	14.215

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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