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	hartrees
Energy at 0K	-157.173498
Energy at 298.15K	-157.181212
Nuclear repulsion energy	117.198480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	3054	52.64
2	A	3142	3032	4.98
3	A	3033	2927	14.94
4	A	1755	1693	4.58
5	A	1461	1410	5.45
6	A	1392	1343	3.22
7	A	1280	1235	0.08
8	A	1015	979	0.72
9	A	880	850	0.64
10	A	279	270	0.01
11	A	3091	2983	0.00
12	A	1448	1397	0.00
13	A	1043	1007	0.00
14	A	1001	966	0.00
15	A	397	383	0.00
16	A	150	145	0.00
17	A	3091	2983	36.01
18	A	1452	1401	12.40
19	A	1049	1012	1.14
20	A	696	671	34.84
21	A	133	128	1.20
22	A	3146	3036	18.50
23	A	3129	3019	0.51
24	A	3031	2925	43.18
25	A	1459	1408	1.76
26	A	1424	1374	12.07
27	A	1362	1314	2.65
28	A	1150	1109	0.19
29	A	991	956	19.50
30	A	566	546	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.670	0.663
C2	0.000	-0.670	0.663
C3	0.000	1.587	-0.521
C4	0.000	-1.587	-0.521
H5	0.000	1.169	1.639
H6	0.000	-1.169	1.639
H7	0.000	1.052	-1.480
H8	0.000	-1.052	-1.480
H9	-0.883	2.249	-0.505
H10	0.883	2.249	-0.505
H11	0.883	-2.249	-0.505
H12	-0.883	-2.249	-0.505

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3405	1.4972	2.5491	1.0970	2.0829	2.1767	2.7491	2.1532	2.1532	3.2661	3.2661
C2	1.3405		2.5491	1.4972	2.0829	1.0970	2.7491	2.1767	3.2661	3.2661	2.1532	2.1532
C3	1.4972	2.5491		3.1749	2.2003	3.5024	1.0990	2.8082	1.1039	1.1039	3.9372	3.9372
C4	2.5491	1.4972	3.1749		3.5024	2.2003	2.8082	1.0990	3.9372	3.9372	1.1039	1.1039
H5	1.0970	2.0829	2.2003	3.5024		2.3388	3.1220	3.8297	2.5581	2.5581	4.1311	4.1311
H6	2.0829	1.0970	3.5024	2.2003	2.3388		3.8297	3.1220	4.1311	4.1311	2.5581	2.5581
H7	2.1767	2.7491	1.0990	2.8082	3.1220	3.8297		2.1034	1.7794	1.7794	3.5538	3.5538
H8	2.7491	2.1767	2.8082	1.0990	3.8297	3.1220	2.1034		3.5538	3.5538	1.7794	1.7794
H9	2.1532	3.2661	1.1039	3.9372	2.5581	4.1311	1.7794	3.5538		1.7665	4.8331	4.4988
H10	2.1532	3.2661	1.1039	3.9372	2.5581	4.1311	1.7794	3.5538	1.7665		4.4988	4.8331
H11	3.2661	2.1532	3.9372	1.1039	4.1311	2.5581	3.5538	1.7794	4.8331	4.4988		1.7665
H12	3.2661	2.1532	3.9372	1.1039	4.1311	2.5581	3.5538	1.7794	4.4988	4.8331	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.776	C1	C2	H6	117.067
C1	C3	H7	113.050	C1	C3	H9	110.844
C1	C3	H10	110.844	C2	C1	C3	127.776
C2	C1	H5	117.067	C2	C4	H8	113.050
C2	C4	H11	110.844	C2	C4	H12	110.844
C3	C1	H5	115.157	C4	C2	H6	115.157
H7	C3	H9	107.759	H7	C3	H10	107.759
H8	C4	H11	107.759	H8	C4	H12	107.759
H9	C3	H10	106.284	H11	C4	H12	106.284

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)

using model chemistry: B3PW91/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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Number	Element	Mulliken
1	C	-0.044
2	C	-0.044
3	C	-0.116
4	C	-0.116
5	H	0.055
6	H	0.055
7	H	0.055
8	H	0.055
9	H	0.040
10	H	0.040
11	H	0.009
12	H	0.009

<r²>	99.514
(<r²>)^1/2	9.976

All results from a given calculation for CH3CHCHCH3 (2-Butene, (Z)-)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CHCHCH₃ (2-Butene, (Z)-)