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	hartrees
Energy at 0K	-153.720639
Energy at 298.15K	-153.723004
Nuclear repulsion energy	89.800817

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3294	2979	0.00
2	A_g	2367	2141	0.00
3	A_g	1599	1446	0.00
4	A_g	957	865	0.00
5	A_u	837	757	0.00
6	B_1u	3296	2981	17.47
7	B_1u	1815	1642	24.49
8	B_1u	1522	1377	0.75
9	B_2g	1013	916	0.00
10	B_2g	612	553	0.00
11	B_2u	3377	3054	13.25
12	B_2u	1139	1030	1.26
13	B_2u	248	224	8.56
14	B_3g	3377	3054	0.00
15	B_3g	1123	1016	0.00
16	B_3g	417	378	0.00
17	B_3u	1016	919	103.81
18	B_3u	246	222	7.67

Atom	y (Å)	z (Å)
C1	0.000	0.631
C2	0.000	-0.631
C3	0.000	1.932
C4	0.000	-1.932
H5	0.920	2.490
H6	-0.920	2.490
H7	0.920	-2.490
H8	-0.920	-2.490

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2615	1.3014	2.5629	2.0746	2.0746	3.2537	3.2537
C2	1.2615		2.5629	1.3014	3.2537	3.2537	2.0746	2.0746
C3	1.3014	2.5629		3.8644	1.0759	1.0759	4.5171	4.5171
C4	2.5629	1.3014	3.8644		4.5171	4.5171	1.0759	1.0759
H5	2.0746	3.2537	1.0759	4.5171		1.8398	4.9805	5.3095
H6	2.0746	3.2537	1.0759	4.5171	1.8398		5.3095	4.9805
H7	3.2537	2.0746	4.5171	1.0759	4.9805	5.3095		1.8398
H8	3.2537	2.0746	4.5171	1.0759	5.3095	4.9805	1.8398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.244
C1	C3	H6	121.244	C2	C1	C3	180.000
C2	C4	H7	121.244	C2	C4	H8	121.244
H5	C3	H6	117.512	H7	C4	H8	117.512

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: HF/6-311G*

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	0.016
2	C	0.016
3	C	-0.512
4	C	-0.512
5	H	0.248
6	H	0.248
7	H	0.248
8	H	0.248

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for H2CCCCH2 (Butatriene)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)