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	hartrees
Energy at 0K	-615.731015
Energy at 298.15K	-615.738370
HF Energy	-615.040786
Nuclear repulsion energy	206.867705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3293	3137	10.26
2	A	3215	3063	2.72
3	A	3196	3044	9.79
4	A	3186	3035	5.90
5	A	3140	2990	16.43
6	A	3121	2973	14.48
7	A	3076	2930	15.40
8	A	1707	1626	3.21
9	A	1482	1412	1.90
10	A	1469	1399	11.04
11	A	1448	1379	2.55
12	A	1360	1296	1.16
13	A	1333	1270	30.60
14	A	1307	1245	6.81
15	A	1262	1202	0.07
16	A	1192	1136	0.08
17	A	1142	1088	4.20
18	A	1052	1002	3.58
19	A	1029	980	19.33
20	A	1013	965	3.38
21	A	934	890	30.72
22	A	914	871	11.78
23	A	831	792	4.53
24	A	711	678	18.09
25	A	665	633	11.73
26	A	457	435	1.44
27	A	359	342	0.32
28	A	252	240	1.53
29	A	134	128	1.93
30	A	81	77	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	3.243	-1.309	-0.418
C2	1.411	-0.424	0.219
H3	3.174	0.561	-0.471
C4	2.675	-0.390	-0.249
H5	0.273	0.857	1.527
C6	0.576	0.803	0.465
H7	-1.233	1.799	-0.245
H8	-0.437	0.752	-1.466
C9	-0.685	0.857	-0.398
H10	0.942	-1.392	0.434
H11	1.172	1.708	0.245
Cl12	-1.823	-0.474	0.010

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1319	1.8722	1.0942	4.1587	3.5155	5.4523	4.3471	4.4857	2.4557	3.7195	5.1530
C2	2.1319		2.1339	1.3480	2.1557	1.5054	3.4857	2.7645	2.5329	1.0972	2.1463	3.2419
H3	1.8722	2.1339		1.0962	3.5347	2.7722	4.5828	3.7504	3.8702	3.1012	2.4157	5.1257
C4	1.0942	1.3480	1.0962		3.2366	2.5179	4.4789	3.5316	3.5864	2.1158	2.6275	4.5066
H5	4.1587	2.1557	3.5347	3.2366		1.1054	2.5091	3.0782	2.1504	2.5883	1.7828	2.9099
C6	3.5155	1.5054	2.7722	2.5179	1.1054		2.1832	2.1817	1.5288	2.2263	1.1060	2.7558
H7	5.4523	3.4857	4.5828	4.4789	2.5091	2.1832		1.7946	1.1008	3.9210	2.4558	2.3619
H8	4.3471	2.7645	3.7504	3.5316	3.0782	2.1817	1.7946		1.1011	3.1801	2.5359	2.3670
C9	4.4857	2.5329	3.8702	3.5864	2.1504	1.5288	1.1008	1.1011		2.8978	2.1413	1.7984
H10	2.4557	1.0972	3.1012	2.1158	2.5883	2.2263	3.9210	3.1801	2.8978		3.1151	2.9445
H11	3.7195	2.1463	2.4157	2.6275	1.7828	1.1060	2.4558	2.5359	2.1413	3.1151		3.7134
Cl12	5.1530	3.2419	5.1257	4.5066	2.9099	2.7558	2.3619	2.3670	1.7984	2.9445	3.7134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.254	H1	C4	H3	117.459
C2	C4	H3	121.286	C2	C6	H5	110.381
C2	C6	C9	113.189	C2	C6	H11	109.603
C4	C2	C6	123.782	C4	C2	H10	119.477
H5	C6	C9	108.375	H5	C6	H11	107.458
C6	C2	H10	116.740	C6	C9	H7	111.211
C6	C9	H8	111.068	C6	C9	Cl12	111.591
H7	C9	H8	109.179	H7	C9	Cl12	106.623
H8	C9	Cl12	106.973	C9	C6	H11	107.639

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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