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	hartrees
Energy at 0K	-725.855680
Energy at 298.15K	-725.862263
Nuclear repulsion energy	295.847394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	2975	35.09
2	A	3240	2944	6.34
3	A	3239	2943	35.39
4	A	3214	2920	8.64
5	A	3173	2883	17.35
6	A	2031	1846	737.64
7	A	1647	1496	4.27
8	A	1617	1470	1.56
9	A	1601	1455	6.50
10	A	1563	1420	15.81
11	A	1527	1387	5.65
12	A	1422	1292	2.23
13	A	1333	1212	635.86
14	A	1284	1166	3.95
15	A	1237	1124	50.64
16	A	1128	1025	102.18
17	A	1011	919	78.31
18	A	885	804	0.22
19	A	766	696	27.12
20	A	716	651	86.95
21	A	567	516	5.08
22	A	512	465	7.27
23	A	352	320	4.88
24	A	279	254	0.54
25	A	202	184	0.02
26	A	104	94	0.25
27	A	89	81	0.94

Atom	x (Å)	y (Å)	z (Å)
O1	0.544	0.639	0.000
H2	1.174	-1.105	-0.879
H3	1.174	-1.105	0.879
C4	1.386	-0.515	-0.000
H5	3.010	0.582	-0.879
H6	3.486	-0.865	0.000
H7	3.010	0.582	0.879
C8	2.812	-0.017	0.000
O9	-1.417	1.582	0.000
Cl10	-1.502	-0.967	-0.000
C11	-0.754	0.629	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.0521	2.0521	1.4281	2.6190	3.3043	2.6190	2.3610	2.1763	2.6004	1.2973
H2	2.0521		1.7572	1.0796	2.4937	2.4846	3.0506	2.1535	3.8355	2.8199	2.7380
H3	2.0521	1.7572		1.0796	3.0506	2.4846	2.4937	2.1535	3.8355	2.8199	2.7381
C4	1.4281	1.0796	1.0796		2.1480	2.1291	2.1480	1.5103	3.5006	2.9227	2.4260
H5	2.6190	2.4937	3.0506	2.1480		1.7587	1.7574	1.0819	4.6235	4.8508	3.8653
H6	3.3043	2.4846	2.4846	2.1291	1.7587		1.7587	1.0833	5.4802	4.9886	4.4951
H7	2.6190	3.0506	2.4937	2.1480	1.7574	1.7587		1.0819	4.6235	4.8508	3.8653
C8	2.3610	2.1535	2.1535	1.5103	1.0819	1.0833	1.0819		4.5215	4.4169	3.6235
O9	2.1763	3.8355	3.8355	3.5006	4.6235	5.4802	4.6235	4.5215		2.5505	1.1613
Cl10	2.6004	2.8199	2.8199	2.9227	4.8508	4.9886	4.8508	4.4169	2.5505		1.7629
C11	1.2973	2.7380	2.7381	2.4260	3.8653	4.4951	3.8653	3.6235	1.1613	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	109.046	O1	C4	H3	109.046
O1	C4	C8	106.902	O1	C11	O9	124.452
O1	C11	Cl10	115.532	H2	C4	H3	108.936
H2	C4	C8	111.423	H3	C4	C8	111.423
C4	O1	C11	125.714	C4	C8	H5	110.834
C4	C8	H6	109.245	C4	C8	H7	110.834
H5	C8	H6	108.632	H5	C8	H7	108.609
H6	C8	H7	108.631	O9	C11	Cl10	120.016

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.735
2	H	0.158
3	H	0.158
4	C	0.187
5	H	0.133
6	H	0.131
7	H	0.133
8	C	-0.349
9	O	-0.786
10	Cl	-0.234
11	C	1.206

	x	y	z	Total
	3.301	-2.771	-0.000	4.310
CHELPG
AIM
ESP

	x	y	z
x	9.424	-0.016	0.000
y	-0.016	8.506	0.000
z	0.000	0.000	6.242

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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