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	hartrees
Energy at 0K	-49.719621
Energy at 298.15K	-49.726050
Nuclear repulsion energy	94.431076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3382	3055	36.34
2	A	3352	3029	17.11
3	A	3326	3004	11.25
4	A	3283	2966	27.36
5	A	3279	2962	29.30
6	A	1675	1514	4.17
7	A	1630	1473	5.88
8	A	1573	1421	2.25
9	A	1430	1292	50.79
10	A	1385	1251	4.68
11	A	1313	1186	8.98
12	A	1294	1169	8.36
13	A	1286	1161	4.29
14	A	1217	1100	8.40
15	A	1165	1053	0.25
16	A	1083	978	50.48
17	A	980	885	24.41
18	A	956	863	0.99
19	A	892	806	28.42
20	A	815	736	89.19
21	A	438	396	0.75
22	A	396	358	4.39
23	A	231	209	14.98
24	A	98	88	9.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.800	-0.620	0.263
Cl2	2.233	0.425	-0.071
C3	-0.412	-0.089	-0.469
C4	-1.375	0.789	0.191
O5	-1.642	-0.591	0.005
H6	0.641	-0.624	1.330
H7	1.054	-1.615	-0.073
H8	-0.323	-0.054	-1.544
H9	-1.215	1.089	1.215
H10	-1.986	1.453	-0.399

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8040	1.5128	2.5927	2.4561	1.0796	1.0806	2.2017	2.8079	3.5357
Cl2	1.8040		2.7239	3.6359	4.0067	2.3664	2.3566	2.9886	3.7387	4.3551
C3	1.5128	2.7239		1.4603	1.4106	2.1527	2.1532	1.0793	2.2058	2.2046
C4	2.5927	3.6359	1.4603		1.4176	2.7126	3.4273	2.1971	1.0792	1.0784
O5	2.4561	4.0067	1.4106	1.4176		2.6396	2.8845	2.1048	2.1137	2.1124
H6	1.0796	2.3664	2.1527	2.7126	2.6396		1.7666	3.0851	2.5273	3.7692
H7	1.0806	2.3566	2.1532	3.4273	2.8845	1.7666		2.5493	3.7565	4.3316
H8	2.2017	2.9886	1.0793	2.1971	2.1048	3.0851	2.5493		3.1165	2.5199
H9	2.8079	3.7387	2.2058	1.0792	2.1137	2.5273	3.7565	3.1165		1.8257
H10	3.5357	4.3551	2.2046	1.0784	2.1124	3.7692	4.3316	2.5199	1.8257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.385	C1	C3	O5	114.269
C1	C3	H8	115.270	Cl2	C1	C3	110.113
Cl2	C1	H6	107.631	Cl2	C1	H7	106.870
C3	C1	H6	111.178	C3	C1	H7	111.163
C3	C4	O5	58.678	C3	C4	H9	119.840
C3	C4	H10	119.788	C3	O5	C4	62.172
C4	C3	O5	59.149	C4	C3	H8	119.035
O5	C3	H8	114.763	O5	C4	H9	115.005
O5	C4	H10	114.947	H6	C1	H7	109.731
H9	C4	H10	115.601

All results from a given calculation for C₃H₅ClO (Oxirane, (chloromethyl)-)

using model chemistry: HF/CEP-121G*

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	C	-0.341
2	Cl	-0.189
3	C	0.183
4	C	-0.213
5	O	-0.417
6	H	0.215
7	H	0.210
8	H	0.207
9	H	0.173
10	H	0.171

	x	y	z	Total
	-0.508	0.509	0.150	0.735
CHELPG
AIM
ESP

	x	y	z
x	7.749	0.118	-0.414
y	0.118	6.060	0.059
z	-0.414	0.059	5.464

<r²>	113.302
(<r²>)^1/2	10.644

All results from a given calculation for C3H5ClO (Oxirane, (chloromethyl)-)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₃H₅ClO (Oxirane, (chloromethyl)-)