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	hartrees
Energy at 0K	-651.653439
Energy at 298.15K	-651.659709
HF Energy	-650.880922
Nuclear repulsion energy	215.801344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3257	3095	17.47
2	A	3205	3045	8.42
3	A	3182	3023	8.01
4	A	3152	2995	14.60
5	A	3132	2976	12.84
6	A	1557	1480	1.68
7	A	1504	1430	6.23
8	A	1470	1397	1.76
9	A	1354	1287	32.95
10	A	1302	1237	1.16
11	A	1243	1181	3.62
12	A	1192	1133	0.72
13	A	1172	1114	2.15
14	A	1140	1084	4.35
15	A	1098	1043	0.16
16	A	1008	958	25.77
17	A	908	862	2.70
18	A	889	845	18.13
19	A	831	789	12.34
20	A	806	766	51.50
21	A	420	399	0.57
22	A	380	361	3.92
23	A	217	206	11.11
24	A	95	90	6.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.396	-0.721	-0.268
Cl2	-1.878	0.227	0.034
C3	0.762	-0.115	0.470
C4	1.640	0.852	-0.193
O5	2.048	-0.517	-0.013
H6	-0.195	-0.718	-1.339
H7	-0.583	-1.741	0.069
H8	0.668	-0.081	1.554
H9	1.425	1.136	-1.220
H10	2.184	1.576	0.406

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7849	1.5006	2.5734	2.4652	1.0902	1.0906	2.2044	2.7696	3.5189
Cl2	1.7849		2.6975	3.5799	3.9956	2.3685	2.3561	2.9809	3.6479	4.2959
C3	1.5006	2.6975		1.4647	1.4308	2.1339	2.1480	1.0882	2.2050	2.2103
C4	2.5734	3.5799	1.4647		1.4391	2.6728	3.4253	2.2058	1.0869	1.0858
O5	2.4652	3.9956	1.4308	1.4391		2.6134	2.9029	2.1326	2.1394	2.1383
H6	1.0902	2.3685	2.1339	2.6728	2.6134		1.7833	3.0856	2.4651	3.7370
H7	1.0906	2.3561	2.1480	3.4253	2.9029	1.7833		2.5549	3.7380	4.3327
H8	2.2044	2.9809	1.0882	2.2058	2.1326	3.0856	2.5549		3.1220	2.5219
H9	2.7696	3.6479	2.2050	1.0869	2.1394	2.4651	3.7380	3.1220		1.8470
H10	3.5189	4.2959	2.2103	1.0858	2.1383	3.7370	4.3327	2.5219	1.8470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	120.407	C1	C3	O5	114.465
C1	C3	H8	115.833	Cl2	C1	C3	110.077
Cl2	C1	H6	108.513	Cl2	C1	H7	107.589
C3	C1	H6	109.886	C3	C1	H7	110.998
C3	C4	O5	59.032	C3	C4	H9	118.826
C3	C4	H10	119.395	C3	O5	C4	61.379
C4	C3	O5	59.589	C4	C3	H8	118.799
O5	C3	H8	115.009	O5	C4	H9	115.051
O5	C4	H10	115.035	H6	C1	H7	109.716
H9	C4	H10	116.440

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

using model chemistry: MP2/6-311G**

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 C3H5ClO (Oxirane, (chloromethyl)-)

using model chemistry: MP2/6-311G**

States and conformations

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