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	hartrees
Energy at 0K	-154.243612
Energy at 298.15K	-154.251326
Nuclear repulsion energy	117.555535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3771	3079	1.06
2	A	3712	3031	2.39
3	A	3566	2912	0.81
4	A	2112	1724	0.95
5	A	1835	1498	1.28
6	A	1740	1421	0.04
7	A	1495	1220	0.00
8	A	1202	982	1.65
9	A	1016	830	0.38
10	A	324	265	0.01
11	A	3724	3041	0.00
12	A	1822	1487	0.00
13	A	1279	1044	0.00
14	A	1214	991	0.00
15	A	459	375	0.00
16	A	102	83	0.00
17	A	3724	3041	1.96
18	A	1826	1491	4.45
19	A	1277	1042	0.00
20	A	823	672	13.75
21	A	98	80	0.21
22	A	3762	3072	0.28
23	A	3686	3009	20.42
24	A	3562	2909	3.00
25	A	1830	1494	2.10
26	A	1742	1422	0.72
27	A	1664	1358	20.61
28	A	1361	1111	1.23
29	A	1148	938	3.37
30	A	652	532	4.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.656	0.670
C2	0.000	-0.656	0.670
C3	0.000	1.591	-0.529
C4	0.000	-1.591	-0.529
H5	0.000	1.168	1.627
H6	0.000	-1.168	1.627
H7	0.000	1.053	-1.469
H8	0.000	-1.053	-1.469
H9	-0.877	2.234	-0.504
H10	0.877	2.234	-0.504
H11	0.877	-2.234	-0.504
H12	-0.877	-2.234	-0.504

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3125	1.5204	2.5471	1.0845	2.0595	2.1764	2.7390	2.1538	2.1538	3.2409	3.2409
C2	1.3125		2.5471	1.5204	2.0595	1.0845	2.7390	2.1764	3.2409	3.2409	2.1538	2.1538
C3	1.5204	2.5471		3.1820	2.1965	3.5009	1.0835	2.8068	1.0880	1.0880	3.9246	3.9246
C4	2.5471	1.5204	3.1820		3.5009	2.1965	2.8068	1.0835	3.9246	3.9246	1.0880	1.0880
H5	1.0845	2.0595	2.1965	3.5009		2.3357	3.0982	3.8105	2.5389	2.5389	4.1089	4.1089
H6	2.0595	1.0845	3.5009	2.1965	2.3357		3.8105	3.0982	4.1089	4.1089	2.5389	2.5389
H7	2.1764	2.7390	1.0835	2.8068	3.0982	3.8105		2.1068	1.7594	1.7594	3.5370	3.5370
H8	2.7390	2.1764	2.8068	1.0835	3.8105	3.0982	2.1068		3.5370	3.5370	1.7594	1.7594
H9	2.1538	3.2409	1.0880	3.9246	2.5389	4.1089	1.7594	3.5370		1.7542	4.8005	4.4685
H10	2.1538	3.2409	1.0880	3.9246	2.5389	4.1089	1.7594	3.5370	1.7542		4.4685	4.8005
H11	3.2409	2.1538	3.9246	1.0880	4.1089	2.5389	3.5370	1.7594	4.8005	4.4685		1.7542
H12	3.2409	2.1538	3.9246	1.0880	4.1089	2.5389	3.5370	1.7594	4.4685	4.8005	1.7542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.938	C1	C2	H6	118.147
C1	C3	H7	112.317	C1	C3	H9	110.220
C1	C3	H10	110.220	C2	C1	C3	127.938
C2	C1	H5	118.147	C2	C4	H8	112.317
C2	C4	H11	110.220	C2	C4	H12	110.220
C3	C1	H5	113.915	C4	C2	H6	113.915
H7	C3	H9	108.241	H7	C3	H10	108.241
H8	C4	H11	108.241	H8	C4	H12	108.241
H9	C3	H10	107.447	H11	C4	H12	107.447

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

using model chemistry: HF/STO-3G

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	-0.060
2	C	-0.060
3	C	-0.187
4	C	-0.187
5	H	0.054
6	H	0.054
7	H	0.064
8	H	0.064
9	H	0.064
10	H	0.064
11	H	0.064
12	H	0.064

<r²>	98.441
(<r²>)^1/2	9.922

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

using model chemistry: HF/STO-3G

States and conformations

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