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	hartrees
Energy at 0K	-615.728183
Energy at 298.15K	-615.735467
HF Energy	-615.008927
Nuclear repulsion energy	212.986415

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3095	11.63
2	A	3223	3025	3.96
3	A	3210	3012	9.92
4	A	3205	3008	12.13
5	A	3193	2996	15.72
6	A	3165	2970	3.74
7	A	3111	2919	11.66
8	A	1769	1659	0.82
9	A	1554	1458	3.28
10	A	1547	1452	7.33
11	A	1509	1415	8.59
12	A	1474	1383	7.21
13	A	1380	1295	1.64
14	A	1356	1272	3.64
15	A	1327	1245	26.88
16	A	1242	1166	7.68
17	A	1156	1085	1.76
18	A	1088	1021	31.56
19	A	1034	970	17.18
20	A	1014	952	3.38
21	A	957	898	37.28
22	A	912	855	8.12
23	A	752	706	35.46
24	A	667	626	5.88
25	A	475	446	3.62
26	A	333	313	1.23
27	A	314	295	0.94
28	A	294	276	2.81
29	A	266	249	0.23
30	A	97	91	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	3.202	-0.783	0.420
C2	1.190	-0.129	0.431
H3	2.445	-0.495	-1.239
C4	2.333	-0.484	-0.158
H5	0.159	0.248	-1.397
C6	-0.019	0.326	-0.323
H7	-0.657	1.807	1.117
H8	-1.339	2.032	-0.506
H9	0.368	2.432	-0.194
C10	-0.444	1.738	0.047
H11	1.095	-0.133	1.517
Cl12	-1.390	-0.812	0.017

	H1	C2	H3	C4	H5	C6	H7	H8	H9	C10	H11	Cl12
H1		2.1157	1.8471	1.0856	3.6913	3.4873	4.6995	5.4230	4.3295	4.4487	2.4630	4.6104
C2	2.1157		2.1212	1.3342	2.1327	1.4964	2.7620	3.4565	2.7612	2.5109	1.0893	2.7017
H3	1.8471	2.1212		1.0874	2.4083	2.7542	4.5246	4.6089	3.7378	3.8713	3.0902	4.0482
C4	1.0856	1.3342	1.0874		2.6073	2.4937	3.9769	4.4655	3.5166	3.5630	2.1122	3.7422
H5	3.6913	2.1327	2.4083	2.6073		1.0917	3.0691	2.4948	2.5024	2.1614	3.0838	2.3507
C6	3.4873	1.4964	2.7542	2.4937	1.0917		2.1619	2.1651	2.1454	1.5206	2.1990	1.8142
H7	4.6995	2.7620	4.5246	3.9769	3.0691	2.1619		1.7755	1.7782	1.0934	2.6437	2.9341
H8	5.4230	3.4565	4.6089	4.4655	2.4948	2.1651	1.7755		1.7810	1.0927	3.8345	2.8932
H9	4.3295	2.7612	3.7378	3.5166	2.5024	2.1454	1.7782	1.7810		1.0949	3.1674	3.6965
C10	4.4487	2.5109	3.8713	3.5630	2.1614	1.5206	1.0934	1.0927	1.0949		2.8334	2.7210
H11	2.4630	1.0893	3.0902	2.1122	3.0838	2.1990	2.6437	3.8345	3.1674	2.8334		2.9809
Cl12	4.6104	2.7017	4.0482	3.7422	2.3507	1.8142	2.9341	2.8932	3.6965	2.7210	2.9809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.593	H1	C4	H3	116.419
C2	C4	H3	121.988	C2	C6	H5	110.000
C2	C6	C10	112.653	C2	C6	Cl12	109.012
C4	C2	C6	123.424	C4	C2	H11	120.941
H5	C6	C10	110.588	H5	C6	Cl12	105.261
C6	C2	H11	115.621	C6	C10	H7	110.527
C6	C10	H8	110.823	C6	C10	H9	109.130
H7	C10	H8	108.622	H7	C10	H9	108.695
H8	C10	H9	109.000	C10	C6	Cl12	109.043

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH2CHCHClCH3 (1-Butene, 3-chloro-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for CH₂CHCHClCH₃ (1-Butene, 3-chloro-)