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	hartrees
Energy at 0K	-651.615724
Energy at 298.15K	-651.621979
HF Energy	-650.872587
Nuclear repulsion energy	215.674917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3259	3097	17.70
2	A	3206	3047	8.06
3	A	3182	3024	8.66
4	A	3153	2996	15.43
5	A	3132	2977	12.81
6	A	1565	1487	1.64
7	A	1521	1445	7.85
8	A	1478	1404	1.77
9	A	1361	1293	31.68
10	A	1306	1241	1.00
11	A	1251	1189	3.74
12	A	1193	1134	0.54
13	A	1170	1112	3.07
14	A	1142	1085	3.90
15	A	1100	1045	0.19
16	A	1009	959	27.24
17	A	910	865	2.99
18	A	888	844	20.27
19	A	831	790	13.38
20	A	801	761	53.18
21	A	421	400	0.50
22	A	382	363	4.11
23	A	216	206	11.70
24	A	93	88	7.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.400	0.681	0.303
Cl2	-1.901	-0.216	-0.046
C3	0.747	0.058	-0.440
C4	1.711	-0.811	0.229
O5	2.040	0.552	-0.073
H6	-0.227	0.658	1.379
H7	-0.544	1.718	-0.007
H8	0.587	-0.067	-1.509
H9	1.573	-1.044	1.284
H10	2.249	-1.567	-0.338

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.7834	1.5018	2.5859	2.4722	1.0901	1.0916	2.1944	2.7977	3.5329
Cl2	1.7834		2.6913	3.6710	4.0154	2.3655	2.3624	2.8903	3.8104	4.3740
C3	1.5018	2.6913		1.4599	1.4319	2.1487	2.1475	1.0881	2.2056	2.2151
C4	2.5859	3.6710	1.4599		1.4340	2.6897	3.3967	2.1996	1.0884	1.0878
O5	2.4722	4.0154	1.4319	1.4340		2.6947	2.8365	2.1341	2.1458	2.1456
H6	1.0901	2.3655	2.1487	2.6897	2.6947		1.7734	3.0866	2.4785	3.7455
H7	1.0916	2.3624	2.1475	3.3967	2.8365	1.7734		2.5926	3.7113	4.3249
H8	2.1944	2.8903	1.0881	2.1996	2.1341	3.0866	2.5926		3.1183	2.5267
H9	2.7977	3.8104	2.2056	1.0884	2.1458	2.4785	3.7113	3.1183		1.8331
H10	3.5329	4.3740	2.2151	1.0878	2.1456	3.7455	4.3249	2.5267	1.8331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.632	C1	C3	O5	114.830
C1	C3	H8	114.902	Cl2	C1	C3	109.715
Cl2	C1	H6	108.393	Cl2	C1	H7	108.095
C3	C1	H6	110.997	C3	C1	H7	110.808
C3	C4	O5	59.303	C3	C4	H9	119.164
C3	C4	H10	120.079	C3	O5	C4	61.251
C4	C3	O5	59.445	C4	C3	H8	118.644
O5	C3	H8	115.066	O5	C4	H9	115.903
O5	C4	H10	115.929	H6	C1	H7	108.751
H9	C4	H10	114.777

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)-)