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	hartrees
Energy at 0K	-154.755178
Energy at 298.15K	-154.757272
HF Energy	-154.755178
Nuclear repulsion energy	89.010944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3124	3015	0.00
2	A_g	2214	2137	0.00
3	A_g	1479	1427	0.00
4	A_g	904	873	0.00
5	A_u	784	757	0.00
6	B_1u	3127	3017	8.76
7	B_1u	1687	1628	10.33
8	B_1u	1421	1372	0.05
9	B_2g	878	847	0.00
10	B_2g	569	549	0.00
11	B_2u	3202	3090	8.61
12	B_2u	1045	1009	0.66
13	B_2u	228	220	5.46
14	B_3g	3202	3090	0.00
15	B_3g	1015	979	0.00
16	B_3g	343	331	0.00
17	B_3u	880	849	83.91
18	B_3u	231	223	3.75

Atom	y (Å)	z (Å)
C1	0.000	0.633
C2	0.000	-0.633
C3	0.000	1.949
C4	0.000	-1.949
H5	0.927	2.517
H6	-0.927	2.517
H7	0.927	-2.517
H8	-0.927	-2.517

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.2669	1.3153	2.5822	2.0993	2.0993	3.2841	3.2841
C2	1.2669		2.5822	1.3153	3.2841	3.2841	2.0993	2.0993
C3	1.3153	2.5822		3.8974	1.0871	1.0871	4.5610	4.5610
C4	2.5822	1.3153	3.8974		4.5610	4.5610	1.0871	1.0871
H5	2.0993	3.2841	1.0871	4.5610		1.8533	5.0343	5.3646
H6	2.0993	3.2841	1.0871	4.5610	1.8533		5.3646	5.0343
H7	3.2841	2.0993	4.5610	1.0871	5.0343	5.3646		1.8533
H8	3.2841	2.0993	4.5610	1.0871	5.3646	5.0343	1.8533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	H5	121.527
C1	C3	H6	121.527	C2	C1	C3	180.000
C2	C4	H7	121.527	C2	C4	H8	121.527
H5	C3	H6	116.947	H7	C4	H8	116.947

All results from a given calculation for H₂CCCCH₂ (Butatriene)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for H2CCCCH2 (Butatriene)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CCCCH₂ (Butatriene)