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	hartrees
Energy at 0K	-157.180962
Energy at 298.15K	-157.188697
Nuclear repulsion energy	117.568623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3029	61.49
2	A	3171	3007	7.64
3	A	3065	2907	13.33
4	A	1780	1688	3.46
5	A	1529	1450	6.62
6	A	1449	1374	5.05
7	A	1311	1243	0.09
8	A	1041	987	0.73
9	A	891	845	0.64
10	A	292	277	0.00
11	A	3117	2956	0.00
12	A	1513	1435	0.00
13	A	1073	1017	0.00
14	A	1018	965	0.00
15	A	398	377	0.00
16	A	147	140	0.00
17	A	3118	2956	45.05
18	A	1518	1440	12.78
19	A	1081	1025	0.95
20	A	704	667	38.86
21	A	131	124	1.03
22	A	3174	3010	20.54
23	A	3157	2994	2.26
24	A	3062	2904	43.12
25	A	1521	1442	3.56
26	A	1467	1391	8.14
27	A	1412	1339	2.96
28	A	1175	1115	1.05
29	A	1004	952	15.51
30	A	571	542	7.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.668	0.662
C2	0.000	-0.668	0.662
C3	0.000	1.585	-0.520
C4	0.000	-1.585	-0.520
H5	0.000	1.167	1.630
H6	0.000	-1.167	1.630
H7	0.000	1.051	-1.473
H8	0.000	-1.051	-1.473
H9	-0.879	2.241	-0.505
H10	0.879	2.241	-0.505
H11	0.879	-2.241	-0.505
H12	-0.879	-2.241	-0.505

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3356	1.4965	2.5444	1.0892	2.0744	2.1690	2.7409	2.1468	2.1468	3.2550	3.2550
C2	1.3356		2.5444	1.4965	2.0744	1.0892	2.7409	2.1690	3.2550	3.2550	2.1468	2.1468
C3	1.4965	2.5444		3.1704	2.1909	3.4926	1.0919	2.8032	1.0966	1.0966	3.9258	3.9258
C4	2.5444	1.4965	3.1704		3.4926	2.1909	2.8032	1.0919	3.9258	3.9258	1.0966	1.0966
H5	1.0892	2.0744	2.1909	3.4926		2.3336	3.1052	3.8143	2.5465	2.5465	4.1163	4.1163
H6	2.0744	1.0892	3.4926	2.1909	2.3336		3.8143	3.1052	4.1163	4.1163	2.5465	2.5465
H7	2.1690	2.7409	1.0919	2.8032	3.1052	3.8143		2.1025	1.7676	1.7676	3.5423	3.5423
H8	2.7409	2.1690	2.8032	1.0919	3.8143	3.1052	2.1025		3.5423	3.5423	1.7676	1.7676
H9	2.1468	3.2550	1.0966	3.9258	2.5465	4.1163	1.7676	3.5423		1.7576	4.8142	4.4819
H10	2.1468	3.2550	1.0966	3.9258	2.5465	4.1163	1.7676	3.5423	1.7576		4.4819	4.8142
H11	3.2550	2.1468	3.9258	1.0966	4.1163	2.5465	3.5423	1.7676	4.8142	4.4819		1.7576
H12	3.2550	2.1468	3.9258	1.0966	4.1163	2.5465	3.5423	1.7676	4.4819	4.8142	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.806	C1	C2	H6	117.265
C1	C3	H7	112.919	C1	C3	H9	110.817
C1	C3	H10	110.817	C2	C1	C3	127.806
C2	C1	H5	117.265	C2	C4	H8	112.919
C2	C4	H11	110.817	C2	C4	H12	110.817
C3	C1	H5	114.929	C4	C2	H6	114.929
H7	C3	H9	107.743	H7	C3	H10	107.743
H8	C4	H11	107.743	H8	C4	H12	107.743
H9	C3	H10	106.524	H11	C4	H12	106.524

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

using model chemistry: mPW1PW91/6-31G*

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	-0.129
2	C	-0.129
3	C	-0.565
4	C	-0.565
5	H	0.154
6	H	0.154
7	H	0.177
8	H	0.177
9	H	0.182
10	H	0.182
11	H	0.182
12	H	0.182

<r²>	98.913
(<r²>)^1/2	9.946

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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