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	hartrees
Energy at 0K	-614.934748
Energy at 298.15K	-614.942286
Nuclear repulsion energy	204.695205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3430	3088	33.33
2	A	3402	3063	17.60
3	A	3370	3034	5.02
4	A	3326	2995	15.97
5	A	3319	2988	35.81
6	A	3266	2941	17.40
7	A	3213	2893	31.79
8	A	1840	1656	12.20
9	A	1631	1469	10.41
10	A	1630	1468	10.53
11	A	1601	1441	9.42
12	A	1508	1357	3.62
13	A	1458	1312	51.57
14	A	1447	1302	5.64
15	A	1380	1243	0.89
16	A	1284	1156	0.59
17	A	1242	1119	2.02
18	A	1159	1044	2.91
19	A	1127	1015	3.19
20	A	1112	1001	96.98
21	A	1089	981	8.52
22	A	992	893	19.08
23	A	889	800	1.90
24	A	729	657	20.59
25	A	632	569	55.58
26	A	490	441	3.63
27	A	378	341	1.58
28	A	265	239	3.37
29	A	127	115	3.38
30	A	88	79	0.39

Atom	x (Å)	y (Å)	z (Å)
H1	3.258	-1.314	-0.402
C2	1.438	-0.431	0.172
H3	3.249	0.514	-0.371
C4	2.712	-0.407	-0.221
H5	0.317	0.814	1.501
C6	0.604	0.796	0.456
H7	-1.199	1.808	-0.218
H8	-0.454	0.778	-1.453
C9	-0.655	0.899	-0.403
H10	0.945	-1.376	0.311
H11	1.194	1.690	0.272
Cl12	-1.877	-0.474	0.020

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	Cl12
H1		2.1027	1.8276	1.0739	4.0987	3.4972	5.4448	4.3887	4.4953	2.4212	3.7058	5.2206
C2	2.1027		2.1129	1.3335	2.1384	1.5104	3.4813	2.7715	2.5455	1.0755	2.1365	3.3191
H3	1.8276	2.1129		1.0758	3.4913	2.7847	4.6346	3.8665	3.9223	3.0566	2.4529	5.2347
C4	1.0739	1.3335	1.0758		3.1926	2.5196	4.4949	3.5984	3.6160	2.0846	2.6348	4.5963
H5	4.0987	2.1384	3.4913	3.1926		1.0840	2.4982	3.0526	2.1392	2.5708	1.7456	2.9438
C6	3.4972	1.5104	2.7847	2.5196	1.0840		2.1750	2.1825	1.5277	2.2041	1.0859	2.8219
H7	5.4448	3.4813	4.6346	4.4949	2.4982	2.1750		1.7718	1.0755	3.8754	2.4455	2.3931
H8	4.3887	2.7715	3.8665	3.5984	3.0526	2.1825	1.7718		1.0753	3.1161	2.5534	2.4006
C9	4.4953	2.5455	3.9223	3.6160	2.1392	1.5277	1.0755	1.0753		2.8719	2.1207	1.8870
H10	2.4212	1.0755	3.0566	2.0846	2.5708	2.2041	3.8754	3.1161	2.8719		3.0762	2.9772
H11	3.7058	2.1365	2.4529	2.6348	1.7456	1.0859	2.4455	2.5534	2.1207	3.0762		3.7654
Cl12	5.2206	3.3191	5.2347	4.5963	2.9438	2.8219	2.3931	2.4006	1.8870	2.9772	3.7654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C4	C2	121.353	H1	C4	H3	116.455
C2	C4	H3	122.191	C2	C6	H5	109.933
C2	C6	C9	113.826	C2	C6	H11	109.673
C4	C2	C6	124.622	C4	C2	H10	119.458
H5	C6	C9	108.798	H5	C6	H11	107.110
C6	C2	H10	115.918	C6	C9	H7	112.172
C6	C9	H8	112.799	C6	C9	Cl12	111.026
H7	C9	H8	110.937	H7	C9	Cl12	104.406
H8	C9	Cl12	104.939	C9	C6	H11	107.257

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

using model chemistry: HF/SDD

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	H	0.196
2	C	-0.015
3	H	0.182
4	C	-0.506
5	H	0.203
6	C	-0.358
7	H	0.240
8	H	0.236
9	C	-0.401
10	H	0.213
11	H	0.182
12	Cl	-0.173

	x	y	z	Total
	1.864	2.130	-0.440	2.864
CHELPG
AIM
ESP

	x	y	z
x	9.904	0.852	-1.225
y	0.852	6.800	-0.219
z	-1.225	-0.219	4.736

<r²>	204.610
(<r²>)^1/2	14.304

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

using model chemistry: HF/SDD

States and conformations

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