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	hartrees
Energy at 0K	-615.748560
Energy at 298.15K	-615.755950
HF Energy	-615.023112
Nuclear repulsion energy	208.049052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3333	3130	12.27
2	A	3254	3056	3.11
3	A	3239	3042	7.71
4	A	3229	3033	7.99
5	A	3174	2981	23.06
6	A	3162	2970	7.13
7	A	3110	2921	16.31
8	A	1723	1619	5.07
9	A	1526	1433	3.80
10	A	1517	1425	13.60
11	A	1494	1403	2.41
12	A	1397	1312	0.82
13	A	1386	1302	42.65
14	A	1343	1261	1.98
15	A	1292	1214	0.21
16	A	1222	1147	0.02
17	A	1166	1095	2.77
18	A	1072	1007	3.34
19	A	1041	978	24.46
20	A	1029	967	8.48
21	A	935	878	18.86
22	A	934	877	39.45
23	A	846	795	4.01
24	A	720	676	19.38
25	A	671	630	15.21
26	A	466	438	1.34
27	A	362	340	0.43
28	A	255	240	1.55
29	A	132	124	1.81
30	A	80	75	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	3.238	-1.284	-0.414
C2	1.410	-0.426	0.210
H3	3.163	0.559	-0.448
C4	2.670	-0.382	-0.243
H5	0.283	0.841	1.513
C6	0.574	0.791	0.462
H7	-1.212	1.784	-0.242
H8	-0.433	0.745	-1.449
C9	-0.681	0.848	-0.395
H10	0.948	-1.386	0.409
H11	1.162	1.685	0.243
Cl12	-1.823	-0.466	0.011

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1143	1.8454	1.0802	4.1195	3.4888	5.4081	4.3202	4.4618	2.4355	3.6824	5.1444
C2	2.1143		2.1165	1.3400	2.1391	1.4974	3.4584	2.7414	2.5218	1.0837	2.1260	3.2388
H3	1.8454	2.1165		1.0822	3.4965	2.7545	4.5482	3.7375	3.8555	3.0702	2.3979	5.1114
C4	1.0802	1.3400	1.0822		3.2063	2.5030	4.4452	3.5144	3.5727	2.0971	2.6043	4.5008
H5	4.1195	2.1391	3.4965	3.2063		1.0922	2.4910	3.0488	2.1382	2.5739	1.7609	2.8987
C6	3.4888	1.4974	2.7545	2.5030	1.0922		2.1615	2.1602	1.5208	2.2095	1.0930	2.7439
H7	5.4081	3.4584	4.5482	4.4452	2.4910	2.1615		1.7726	1.0868	3.8912	2.4252	2.3456
H8	4.3202	2.7414	3.7375	3.5144	3.0488	2.1602	1.7726		1.0871	3.1465	2.5079	2.3514
C9	4.4618	2.5218	3.8555	3.5727	2.1382	1.5208	1.0868	1.0871		2.8799	2.1225	1.7881
H10	2.4355	1.0837	3.0702	2.0971	2.5739	2.2095	3.8912	3.1465	2.8799		3.0835	2.9470
H11	3.6824	2.1260	2.3979	2.6043	1.7609	1.0930	2.4252	2.5079	2.1225	3.0835		3.6872
Cl12	5.1444	3.2388	5.1114	4.5008	2.8987	2.7439	2.3456	2.3514	1.7881	2.9470	3.6872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.391	H1	C4	H3	117.168
C2	C4	H3	121.440	C2	C6	H5	110.407
C2	C6	C9	113.338	C2	C6	H11	109.327
C4	C2	C6	123.709	C4	C2	H10	119.448
H5	C6	C9	108.715	H5	C6	H11	107.381
C6	C2	H10	116.842	C6	C9	H7	110.875
C6	C9	H8	110.755	C6	C9	Cl12	111.789
H7	C9	H8	109.254	H7	C9	Cl12	106.802
H8	C9	Cl12	107.206	C9	C6	H11	107.463

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)

using model chemistry: MP2=FULL/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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All results from a given calculation for CH2CHCH2CH2Cl (1-Butene, 4-chloro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₂CHCH₂CH₂Cl (1-Butene, 4-chloro-)