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	hartrees
Energy at 0K	-49.599995
Energy at 298.15K	-49.606347
Nuclear repulsion energy	92.915222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3411	3112	23.28
2	A	3368	3073	10.62
3	A	3346	3053	5.20
4	A	3291	3003	13.90
5	A	3273	2986	16.01
6	A	1650	1506	1.49
7	A	1624	1482	7.89
8	A	1564	1427	0.49
9	A	1426	1301	44.90
10	A	1374	1253	1.02
11	A	1324	1208	2.72
12	A	1284	1172	2.83
13	A	1264	1154	2.03
14	A	1185	1081	5.57
15	A	1156	1055	0.30
16	A	1043	951	30.32
17	A	972	887	1.64
18	A	907	828	26.18
19	A	845	771	41.41
20	A	742	677	99.30
21	A	435	397	0.19
22	A	385	351	6.39
23	A	223	203	21.77
24	A	89	81	14.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.780	-0.660	-0.253
Cl2	-2.271	0.426	0.062
C3	0.414	-0.100	0.478
C4	1.350	0.834	-0.181
O5	1.701	-0.587	-0.028
H6	-0.636	-0.668	-1.321
H7	-1.055	-1.638	0.104
H8	0.339	-0.088	1.549
H9	1.168	1.139	-1.194
H10	1.938	1.503	0.417

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8715	1.5077	2.6025	2.4920	1.0768	1.0771	2.1977	2.8139	3.5381
Cl2	1.8715		2.7669	3.6517	4.0998	2.4045	2.3962	3.0479	3.7300	4.3591
C3	1.5077	2.7669		1.4776	1.4665	2.1584	2.1591	1.0737	2.2145	2.2136
C4	2.6025	3.6517	1.4776		1.4712	2.7378	3.4605	2.2056	1.0743	1.0731
O5	2.4920	4.0998	1.4665	1.4712		2.6713	2.9525	2.1427	2.1503	2.1503
H6	1.0768	2.4045	2.1584	2.7378	2.6713		1.7743	3.0859	2.5562	3.7890
H7	1.0771	2.3962	2.1591	3.4605	2.9525	1.7743		2.5367	3.7872	4.3504
H8	2.1977	3.0479	1.0737	2.2056	2.1427	3.0859	2.5367		3.1180	2.5243
H9	2.8139	3.7300	2.2145	1.0743	2.1503	2.5562	3.7872	3.1180		1.8226
H10	3.5381	4.3591	2.2136	1.0731	2.1503	3.7890	4.3504	2.5243	1.8226

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.321	C1	C3	O5	113.821
C1	C3	H8	115.698	Cl2	C1	C3	109.459
Cl2	C1	H6	106.125	Cl2	C1	H7	105.521
C3	C1	H6	112.182	C3	C1	H7	112.221
C3	C4	O5	59.644	C3	C4	H9	119.563
C3	C4	H10	119.567	C3	O5	C4	60.397
C4	C3	O5	59.960	C4	C3	H8	118.795
O5	C3	H8	114.139	O5	C4	H9	114.387
O5	C4	H10	114.467	H6	C1	H7	110.921
H9	C4	H10	116.148

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	-0.500
2	Cl	-0.084
3	C	0.215
4	C	-0.149
5	O	-0.417
6	H	0.216
7	H	0.214
8	H	0.184
9	H	0.161
10	H	0.161

	x	y	z	Total
	0.489	0.634	-0.072	0.804
CHELPG
AIM
ESP

	x	y	z
x	7.932	-0.526	-0.600
y	-0.526	6.005	-0.068
z	-0.600	-0.068	4.938

<r²>	116.615
(<r²>)^1/2	10.799

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)-)