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	hartrees
Energy at 0K	-726.136815
Energy at 298.15K	-726.142828
HF Energy	-725.554654
Nuclear repulsion energy	282.144246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3060	24.93
2	A	3177	3040	0.20
3	A	3166	3029	14.21
4	A	3117	2983	5.32
5	A	3079	2946	10.41
6	A	1775	1699	415.00
7	A	1581	1513	4.89
8	A	1571	1503	7.74
9	A	1558	1491	7.49
10	A	1495	1430	12.50
11	A	1436	1374	25.29
12	A	1331	1274	0.01
13	A	1202	1150	5.87
14	A	1166	1116	26.14
15	A	1113	1065	491.77
16	A	1036	992	33.06
17	A	872	834	183.57
18	A	861	824	0.78
19	A	603	577	22.33
20	A	578	553	113.36
21	A	500	478	4.65
22	A	374	358	41.48
23	A	311	298	9.10
24	A	257	246	0.94
25	A	182	174	0.77
26	A	101	97	2.96
27	A	77	74	1.20

Atom	x (Å)	y (Å)	z (Å)
O1	0.593	0.710	0.000
H2	1.187	-1.118	-0.894
H3	1.188	-1.117	0.896
C4	1.439	-0.540	0.000
H5	3.076	0.565	-0.892
H6	3.561	-0.902	-0.000
H7	3.077	0.566	0.891
C8	2.879	-0.040	-0.000
O9	-1.489	1.694	-0.000
Cl10	-1.544	-1.060	-0.000
C11	-0.763	0.713	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1204	2.1203	1.5100	2.6430	3.3776	2.6429	2.4059	2.3023	2.7743	1.3559
H2	2.1204		1.7902	1.0945	2.5303	2.5457	3.0974	2.1959	3.9839	2.8745	2.8213
H3	2.1203	1.7902		1.0945	3.0974	2.5457	2.5304	2.1959	3.9841	2.8757	2.8217
C4	1.5100	1.0945	1.0945		2.1677	2.1522	2.1677	1.5238	3.6833	3.0281	2.5344
H5	2.6430	2.5303	3.0974	2.1677		1.7840	1.7827	1.0958	4.7863	4.9782	3.9446
H6	3.3776	2.5457	2.5457	2.1522	1.7840		1.7840	1.0990	5.6778	5.1073	4.6160
H7	2.6429	3.0974	2.5304	2.1677	1.7827	1.7840		1.0958	4.7865	4.9789	3.9448
C8	2.4059	2.1959	2.1959	1.5238	1.0958	1.0990	1.0958		4.6991	4.5386	3.7190
O9	2.3023	3.9839	3.9841	3.6833	4.7863	5.6778	4.7865	4.6991		2.7547	1.2200
Cl10	2.7743	2.8745	2.8757	3.0281	4.9782	5.1073	4.9789	4.5386	2.7547		1.9374
C11	1.3559	2.8213	2.8217	2.5344	3.9446	4.6160	3.9448	3.7190	1.2200	1.9374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	107.939	O1	C4	H3	107.932
O1	C4	C8	104.939	O1	C11	O9	126.628
O1	C11	Cl10	113.615	H2	C4	H3	109.728
H2	C4	C8	112.978	H3	C4	C8	112.978
C4	O1	C11	124.252	C4	C8	H5	110.619
C4	C8	H6	109.213	C4	C8	H7	110.621
H5	C8	H6	108.743	H5	C8	H7	108.858
H6	C8	H7	108.743	O9	C11	Cl10	119.756

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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