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	hartrees
Energy at 0K	-652.625415
Energy at 298.15K	-652.631396
Nuclear repulsion energy	211.456784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3110	3094	22.93
2	A	3088	3071	6.27
3	A	3051	3035	12.05
4	A	3022	3006	6.81
5	A	3021	3005	26.24
6	A	1484	1476	2.36
7	A	1452	1444	5.29
8	A	1390	1383	4.51
9	A	1263	1256	32.84
10	A	1232	1226	3.91
11	A	1169	1163	3.53
12	A	1128	1122	0.96
13	A	1108	1102	1.06
14	A	1065	1059	3.36
15	A	1033	1027	0.36
16	A	934	929	28.04
17	A	861	856	2.06
18	A	803	799	34.15
19	A	758	754	14.58
20	A	679	676	68.02
21	A	391	389	0.04
22	A	354	352	3.53
23	A	202	201	13.14
24	A	90	89	7.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.383	-0.730	0.271
Cl2	1.934	0.227	-0.034
C3	-0.779	-0.098	-0.468
C4	-1.687	0.861	0.199
O5	-2.092	-0.531	0.001
H6	0.212	-0.736	1.355
H7	0.582	-1.751	-0.082
H8	-0.679	-0.056	-1.560
H9	-1.503	1.144	1.243
H10	-2.241	1.591	-0.403

	C1	Cl2	C3	C4	O5	H6	H7	H8	H9	H10
C1		1.8477	1.5151	2.6121	2.4976	1.0975	1.0985	2.2214	2.8305	3.5670
Cl2	1.8477		2.7667	3.6835	4.0969	2.4125	2.3963	3.0390	3.7787	4.4072
C3	1.5151	2.7667		1.4803	1.4600	2.1710	2.1757	1.0976	2.2349	2.2346
C4	2.6121	3.6835	1.4803		1.4639	2.7376	3.4719	2.2261	1.0968	1.0960
O5	2.4976	4.0969	1.4600	1.4639		2.6804	2.9404	2.1591	2.1673	2.1652
H6	1.0975	2.4125	2.1710	2.7376	2.6804		1.7979	3.1233	2.5469	3.8106
H7	1.0985	2.3963	2.1757	3.4719	2.9404	1.7979		2.5785	3.8057	4.3863
H8	2.2214	3.0390	1.0976	2.2261	2.1591	3.1233	2.5785		3.1586	2.5477
H9	2.8305	3.7787	2.2349	1.0968	2.1673	2.5469	3.8057	3.1586		1.8583
H10	3.5670	4.4072	2.2346	1.0960	2.1652	3.8106	4.3863	2.5477	1.8583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	121.385	C1	C3	O5	114.160
C1	C3	H8	115.549	Cl2	C1	C3	110.328
Cl2	C1	H6	107.231	Cl2	C1	H7	106.038
C3	C1	H6	111.389	C3	C1	H7	111.711
C3	C4	O5	59.451	C3	C4	H9	119.529
C3	C4	H10	119.563	C3	O5	C4	60.834
C4	C3	O5	59.715	C4	C3	H8	118.674
O5	C3	H8	114.433	O5	C4	H9	114.884
O5	C4	H10	114.759	H6	C1	H7	109.911
H9	C4	H10	115.881

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

using model chemistry: BLYP/6-31+G**

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	-0.405
2	Cl	-0.046
3	C	0.106
4	C	-0.159
5	O	-0.316
6	H	0.190
7	H	0.199
8	H	0.144
9	H	0.141
10	H	0.145

	x	y	z	Total
	-0.469	0.495	0.143	0.697
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	178.915
(<r²>)^1/2	13.376

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

using model chemistry: BLYP/6-31+G**

States and conformations

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