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	hartrees
Energy at 0K	-727.902088
Energy at 298.15K	-727.908077
Nuclear repulsion energy	286.831377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3071	3055	28.37
2	A	3049	3033	0.22
3	A	3048	3032	18.41
4	A	3004	2988	9.86
5	A	2980	2964	14.64
6	A	1803	1794	483.53
7	A	1477	1470	3.13
8	A	1464	1456	7.53
9	A	1452	1444	8.40
10	A	1387	1379	11.84
11	A	1353	1346	10.37
12	A	1258	1251	0.97
13	A	1133	1127	3.72
14	A	1121	1115	423.42
15	A	1086	1080	89.03
16	A	975	970	41.48
17	A	870	865	115.19
18	A	801	797	0.95
19	A	624	621	11.67
20	A	595	592	90.94
21	A	500	497	5.42
22	A	401	399	21.80
23	A	312	310	6.14
24	A	246	245	0.38
25	A	182	181	0.16
26	A	112	112	0.73
27	A	70	69	0.70

Atom	x (Å)	y (Å)	z (Å)
O1	0.565	0.694	-0.000
H2	1.180	-1.108	-0.896
H3	1.181	-1.107	0.897
C4	1.421	-0.518	0.000
H5	3.080	0.576	-0.895
H6	3.539	-0.900	-0.000
H7	3.080	0.576	0.894
C8	2.866	-0.028	-0.000
O9	-1.478	1.643	0.000
Cl10	-1.520	-1.027	-0.000
C11	-0.774	0.666	0.000

	O1	H2	H3	C4	H5	H6	H7	C8	O9	Cl10	C11
O1		2.1045	2.1045	1.4841	2.6716	3.3741	2.6717	2.4109	2.2528	2.7038	1.3394
H2	2.1045		1.7935	1.0994	2.5384	2.5314	3.1067	2.1929	3.9289	2.8463	2.7875
H3	2.1045	1.7935		1.0994	3.1067	2.5315	2.5383	2.1929	3.9289	2.8469	2.7876
C4	1.4841	1.0994	1.0994		2.1799	2.1522	2.1799	1.5259	3.6158	2.9843	2.4940
H5	2.6716	2.5384	3.1067	2.1799		1.7865	1.7889	1.1005	4.7658	4.9526	3.9572
H6	3.3741	2.5314	2.5315	2.1522	1.7865		1.7865	1.1021	5.6247	5.0603	4.5884
H7	2.6717	3.1067	2.5383	2.1799	1.7889	1.7865		1.1005	4.7659	4.9529	3.9574
C8	2.4109	2.1929	2.1929	1.5259	1.1005	1.1021	1.1005		4.6538	4.4978	3.7050
O9	2.2528	3.9289	3.9289	3.6158	4.7658	5.6247	4.7659	4.6538		2.6700	1.2039
Cl10	2.7038	2.8463	2.8469	2.9843	4.9526	5.0603	4.9529	4.4978	2.6700		1.8504
C11	1.3394	2.7875	2.7876	2.4940	3.9572	4.5884	3.9574	3.7050	1.2039	1.8504

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	H2	108.172	O1	C4	H3	108.170
O1	C4	C8	106.441	O1	C11	O9	124.611
O1	C11	Cl10	114.970	H2	C4	H3	109.305
H2	C4	C8	112.279	H3	C4	C8	112.278
C4	O1	C11	124.006	C4	C8	H5	111.165
C4	C8	H6	108.896	C4	C8	H7	111.166
H5	C8	H6	108.399	H5	C8	H7	108.735
H6	C8	H7	108.399	O9	C11	Cl10	120.419

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

using model chemistry: BLYP/6-31+G**

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	-0.256
2	H	0.165
3	H	0.165
4	C	0.055
5	H	0.170
6	H	0.154
7	H	0.170
8	C	-0.667
9	O	-0.296
10	Cl	0.038
11	C	0.301

	x	y	z	Total
	3.657	-2.256	0.000	4.297
CHELPG
AIM
ESP

<r²>	240.629
(<r²>)^1/2	15.512

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

using model chemistry: BLYP/6-31+G**

States and conformations

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