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	hartrees
Energy at 0K	-652.596884
Energy at 298.15K	-652.602948
HF Energy	-652.596884
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3132	3071	37.60
2	A	3115	3054	10.79
3	A	3076	3016	15.80
4	A	3049	2989	14.20
5	A	3046	2986	29.39
6	A	1524	1495	1.94
7	A	1485	1456	5.08
8	A	1426	1398	5.14
9	A	1295	1269	30.33
10	A	1262	1237	4.64
11	A	1195	1171	4.22
12	A	1153	1130	1.12
13	A	1123	1101	0.70
14	A	1096	1075	4.63
15	A	1054	1033	0.30
16	A	969	950	29.50
17	A	877	859	5.20
18	A	853	837	22.34
19	A	810	794	13.94
20	A	703	689	65.11
21	A	403	395	0.14
22	A	365	358	3.61
23	A	206	202	12.15
24	A	88	86	6.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.386	0.735	0.263
Cl2	-1.905	-0.230	-0.032
C3	0.777	0.116	-0.473
C4	1.656	-0.857	0.192
O5	2.070	0.514	0.018
H6	-0.203	0.746	1.343
H7	-0.590	1.755	-0.084
H8	0.683	0.086	-1.564
H9	1.442	-1.156	1.223
H10	2.202	-1.590	-0.409

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8236	1.5092	2.5894	2.4777	1.0956	1.0963	2.2135	2.7999	3.5432
Cl2	1.8236		2.7399	3.6218	4.0440	2.3957	2.3816	3.0236	3.6922	4.3424
C3	1.5092	2.7399		1.4694	1.4392	2.1579	2.1692	1.0954	2.2220	2.2236
C4	2.5894	3.6218	1.4694		1.4424	2.7107	3.4548	2.2179	1.0951	1.0943
O5	2.4777	4.0440	1.4392	1.4424		2.6409	2.9365	2.1475	2.1531	2.1513
H6	1.0956	2.3957	2.1579	2.7107	2.6409		1.7900	3.1098	2.5177	3.7830
H7	1.0963	2.3816	2.1692	3.4548	2.9365	1.7900		2.5674	3.7829	4.3688
H8	2.2135	3.0236	1.0954	2.2179	2.1475	3.1098	2.5674		3.1448	2.5405
H9	2.7999	3.6922	2.2220	1.0951	2.1531	2.5177	3.7829	3.1448		1.8519
H10	3.5432	4.3424	2.2236	1.0943	2.1513	3.7830	4.3688	2.5405	1.8519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.772	C1	C3	O5	115.086
C1	C3	H8	114.502	Cl2	C1	C3	110.302
Cl2	C1	H6	108.169	Cl2	C1	H7	107.919
C3	C1	H6	111.259	C3	C1	H7	110.978
C3	C4	O5	59.319	C3	C4	H9	119.401
C3	C4	H10	120.146	C3	O5	C4	61.368
C4	C3	O5	59.313	C4	C3	H8	118.688
O5	C3	H8	115.497	O5	C4	H9	116.259
O5	C4	H10	116.331	H6	C1	H7	108.095
H9	C4	H10	114.180

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

using model chemistry: B97D3/6-31G*

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	-0.399
2	Cl	-0.083
3	C	0.105
4	C	-0.114
5	O	-0.420
6	H	0.205
7	H	0.210
8	H	0.168
9	H	0.162
10	H	0.165

	x	y	z	Total
	0.571	-0.326	0.090	0.664
CHELPG
AIM
ESP

	x	y	z
x	8.015	-0.127	0.278
y	-0.127	5.927	-0.113
z	0.278	-0.113	5.368

<r²>	174.234
(<r²>)^1/2	13.200

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

using model chemistry: B97D3/6-31G*

States and conformations

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