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	hartrees
Energy at 0K	-156.167208
Energy at 298.15K	-156.175151
HF Energy	-156.167208
Nuclear repulsion energy	118.038646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	2978	56.27
2	A₁	3260	2949	19.35
3	A₁	3155	2854	12.30
4	A₁	1868	1690	6.46
5	A₁	1612	1458	4.83
6	A₁	1543	1396	1.77
7	A₁	1390	1258	0.01
8	A₁	1105	1000	0.82
9	A₁	913	825	0.67
10	A₁	308	278	0.00
11	A₂	3190	2885	0.00
12	A₂	1599	1446	0.00
13	A₂	1176	1064	0.00
14	A₂	1106	1000	0.00
15	A₂	434	393	0.00
16	A₂	138	125	0.00
17	B₁	3190	2886	62.41
18	B₁	1604	1451	11.16
19	B₁	1165	1054	9.81
20	B₁	765	692	42.31
21	B₁	139	126	0.88
22	B₂	3264	2953	20.59
23	B₂	3238	2929	9.28
24	B₂	3153	2852	64.43
25	B₂	1606	1453	4.27
26	B₂	1564	1414	4.76
27	B₂	1508	1364	5.51
28	B₂	1253	1133	0.07
29	B₂	1032	934	11.69
30	B₂	606	548	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.660	0.658
C2	0.000	-0.660	0.658
C3	0.000	1.591	-0.520
C4	0.000	-1.591	-0.520
H5	0.000	1.148	1.618
H6	0.000	-1.148	1.618
H7	0.000	1.074	-1.468
H8	0.000	-1.074	-1.468
H9	-0.872	2.237	-0.490
H10	0.872	2.237	-0.490
H11	0.872	-2.237	-0.490
H12	-0.872	-2.237	-0.490

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3193	1.5013	2.5402	1.0772	2.0470	2.1656	2.7431	2.1364	2.1364	3.2350	3.2350
C2	1.3193		2.5402	1.5013	2.0470	1.0772	2.7431	2.1656	3.2350	3.2350	2.1364	2.1364
C3	1.5013	2.5402		3.1823	2.1828	3.4747	1.0798	2.8291	1.0853	1.0853	3.9259	3.9259
C4	2.5402	1.5013	3.1823		3.4747	2.1828	2.8291	1.0798	3.9259	3.9259	1.0853	1.0853
H5	1.0772	2.0470	2.1828	3.4747		2.2967	3.0864	3.8027	2.5272	2.5272	4.0817	4.0817
H6	2.0470	1.0772	3.4747	2.1828	2.2967		3.8027	3.0864	4.0817	4.0817	2.5272	2.5272
H7	2.1656	2.7431	1.0798	2.8291	3.0864	3.8027		2.1487	1.7514	1.7514	3.5607	3.5607
H8	2.7431	2.1656	2.8291	1.0798	3.8027	3.0864	2.1487		3.5607	3.5607	1.7514	1.7514
H9	2.1364	3.2350	1.0853	3.9259	2.5272	4.0817	1.7514	3.5607		1.7441	4.8011	4.4731
H10	2.1364	3.2350	1.0853	3.9259	2.5272	4.0817	1.7514	3.5607	1.7441		4.4731	4.8011
H11	3.2350	2.1364	3.9259	1.0853	4.0817	2.5272	3.5607	1.7514	4.8011	4.4731		1.7441
H12	3.2350	2.1364	3.9259	1.0853	4.0817	2.5272	3.5607	1.7514	4.4731	4.8011	1.7441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	128.350	C1	C2	H6	116.980
C1	C3	H7	113.056	C1	C3	H9	110.334
C1	C3	H10	110.334	C2	C1	C3	128.350
C2	C1	H5	116.980	C2	C4	H8	113.056
C2	C4	H11	110.334	C2	C4	H12	110.334
C3	C1	H5	114.669	C4	C2	H6	114.669
H7	C3	H9	107.977	H7	C3	H10	107.977
H8	C4	H11	107.977	H8	C4	H12	107.977
H9	C3	H10	106.934	H11	C4	H12	106.934

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.206
2	C	-0.206
3	C	-1.199
4	C	-1.199
5	H	0.571
6	H	0.571
7	H	0.306
8	H	0.306
9	H	0.264
10	H	0.264
11	H	0.264
12	H	0.264

<r²>	99.196
(<r²>)^1/2	9.960

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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