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	hartrees
Energy at 0K	-157.133270
Energy at 298.15K	-157.140920
Nuclear repulsion energy	117.719484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3038	59.53
2	A	3160	3017	5.43
3	A	3054	2916	13.70
4	A	1771	1691	3.60
5	A	1495	1428	4.97
6	A	1415	1351	5.15
7	A	1292	1234	0.02
8	A	1016	970	0.62
9	A	883	843	0.59
10	A	256	245	0.00
11	A	3110	2970	0.00
12	A	1485	1418	0.00
13	A	1055	1007	0.00
14	A	1009	964	0.00
15	A	394	376	0.00
16	A	140	134	0.00
17	A	3111	2970	43.38
18	A	1490	1423	11.06
19	A	1062	1014	1.01
20	A	698	666	34.75
21	A	127	121	1.05
22	A	3164	3021	20.11
23	A	3148	3006	0.87
24	A	3052	2914	40.63
25	A	1493	1425	2.37
26	A	1445	1380	9.11
27	A	1384	1322	2.74
28	A	1158	1106	0.71
29	A	994	949	15.75
30	A	564	538	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.667	0.663
C2	0.000	-0.667	0.663
C3	0.000	1.581	-0.520
C4	0.000	-1.581	-0.520
H5	0.000	1.166	1.630
H6	0.000	-1.166	1.630
H7	0.000	1.046	-1.470
H8	0.000	-1.046	-1.470
H9	-0.877	2.236	-0.506
H10	0.877	2.236	-0.506
H11	0.877	-2.236	-0.506
H12	-0.877	-2.236	-0.506

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3348	1.4948	2.5408	1.0884	2.0731	2.1660	2.7354	2.1443	2.1443	3.2508	3.2508
C2	1.3348		2.5408	1.4948	2.0731	1.0884	2.7354	2.1660	3.2508	3.2508	2.1443	2.1443
C3	1.4948	2.5408		3.1625	2.1901	3.4889	1.0905	2.7932	1.0951	1.0951	3.9172	3.9172
C4	2.5408	1.4948	3.1625		3.4889	2.1901	2.7932	1.0905	3.9172	3.9172	1.0951	1.0951
H5	1.0884	2.0731	2.1901	3.4889		2.3322	3.1025	3.8082	2.5454	2.5454	4.1123	4.1123
H6	2.0731	1.0884	3.4889	2.1901	2.3322		3.8082	3.1025	4.1123	4.1123	2.5454	2.5454
H7	2.1660	2.7354	1.0905	2.7932	3.1025	3.8082		2.0911	1.7655	1.7655	3.5313	3.5313
H8	2.7354	2.1660	2.7932	1.0905	3.8082	3.1025	2.0911		3.5313	3.5313	1.7655	1.7655
H9	2.1443	3.2508	1.0951	3.9172	2.5454	4.1123	1.7655	3.5313		1.7549	4.8047	4.4727
H10	2.1443	3.2508	1.0951	3.9172	2.5454	4.1123	1.7655	3.5313	1.7549		4.4727	4.8047
H11	3.2508	2.1443	3.9172	1.0951	4.1123	2.5454	3.5313	1.7655	4.8047	4.4727		1.7549
H12	3.2508	2.1443	3.9172	1.0951	4.1123	2.5454	3.5313	1.7655	4.4727	4.8047	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	127.688	C1	C2	H6	117.271
C1	C3	H7	112.885	C1	C3	H9	110.828
C1	C3	H10	110.828	C2	C1	C3	127.688
C2	C1	H5	117.271	C2	C4	H8	112.885
C2	C4	H11	110.828	C2	C4	H12	110.828
C3	C1	H5	115.040	C4	C2	H6	115.040
H7	C3	H9	107.763	H7	C3	H10	107.763
H8	C4	H11	107.763	H8	C4	H12	107.763
H9	C3	H10	106.497	H11	C4	H12	106.497

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

using model chemistry: B1B95/6-31G**

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	-0.089
2	C	-0.089
3	C	-0.396
4	C	-0.396
5	H	0.100
6	H	0.100
7	H	0.122
8	H	0.122
9	H	0.132
10	H	0.132
11	H	0.132
12	H	0.132

<r²>	98.646
(<r²>)^1/2	9.932

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

using model chemistry: B1B95/6-31G**

States and conformations

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