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	hartrees
Energy at 0K	-232.719709
Energy at 298.15K	-232.726624
HF Energy	-231.830611
Nuclear repulsion energy	193.832934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3342	3113	0.00
2	A_g	3251	3029	0.00
3	A_g	3242	3020	0.00
4	A_g	3235	3014	0.00
5	A_g	1772	1651	0.00
6	A_g	1690	1574	0.00
7	A_g	1483	1382	0.00
8	A_g	1369	1275	0.00
9	A_g	1352	1259	0.00
10	A_g	1252	1167	0.00
11	A_g	970	904	0.00
12	A_g	451	420	0.00
13	A_g	354	330	0.00
14	A_u	1045	974	89.90
15	A_u	963	897	1.67
16	A_u	908	846	93.60
17	A_u	682	635	11.49
18	A_u	220	205	2.37
19	A_u	81	75	0.41
20	B_g	1017	948	0.00
21	B_g	909	847	0.00
22	B_g	846	788	0.00
23	B_g	601	560	0.00
24	B_g	146	136	0.00
25	B_u	3342	3113	28.10
26	B_u	3252	3029	19.17
27	B_u	3244	3022	39.57
28	B_u	3236	3014	1.85
29	B_u	1745	1625	18.83
30	B_u	1517	1414	2.48
31	B_u	1361	1268	3.59
32	B_u	1321	1230	1.90
33	B_u	1183	1102	3.17
34	B_u	1001	933	1.35
35	B_u	550	513	3.13
36	B_u	148	138	1.50

Atom	x (Å)	y (Å)
C1	-0.001	0.674
C2	0.001	-0.674
C3	1.212	1.489
C4	-1.212	-1.489
C5	1.212	2.832
C6	-1.212	-2.832
H7	0.945	-1.209
H8	-0.945	1.209
H9	2.154	0.953
H10	-2.154	-0.953
H11	2.131	3.398
H12	-2.131	-3.398
H13	-0.292	-3.400
H14	0.292	3.400

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.3476	1.4614	2.4793	2.4756	3.7093	2.1064	1.0852	2.1725	2.6985	3.4589	4.5954	4.0841	2.7417
C2	1.3476		2.4793	1.4614	3.7093	2.4756	1.0852	2.1064	2.6985	2.1725	4.5954	3.4589	2.7417	4.0841
C3	1.4614	2.4793		3.8404	1.3427	4.9549	2.7111	2.1751	1.0842	4.1585	2.1182	5.9212	5.1153	2.1206
C4	2.4793	1.4614	3.8404		4.9549	1.3427	2.1751	2.7111	4.1585	1.0842	5.9212	2.1182	2.1206	5.1153
C5	2.4756	3.7093	1.3427	4.9549		6.1611	4.0495	2.6997	2.1024	5.0649	1.0791	7.0703	6.4109	1.0814
C6	3.7093	2.4756	4.9549	1.3427	6.1611		2.6997	4.0495	5.0649	2.1024	7.0703	1.0791	1.0814	6.4109
H7	2.1064	1.0852	2.7111	2.1751	4.0495	2.6997		3.0681	2.4763	3.1094	4.7567	3.7754	2.5162	4.6545
H8	1.0852	2.1064	2.1751	2.7111	2.6997	4.0495	3.0681		3.1094	2.4763	3.7754	4.7567	4.6545	2.5162
H9	2.1725	2.6985	1.0842	4.1585	2.1024	5.0649	2.4763	3.1094		4.7104	2.4455	6.1063	4.9925	3.0753
H10	2.6985	2.1725	4.1585	1.0842	5.0649	2.1024	3.1094	2.4763	4.7104		6.1063	2.4455	3.0753	4.9925
H11	3.4589	4.5954	2.1182	5.9212	1.0791	7.0703	4.7567	3.7754	2.4455	6.1063		8.0216	7.2166	1.8392
H12	4.5954	3.4589	5.9212	2.1182	7.0703	1.0791	3.7754	4.7567	6.1063	2.4455	8.0216		1.8392	7.2166
H13	4.0841	2.7417	5.1153	2.1206	6.4109	1.0814	2.5162	4.6545	4.9925	3.0753	7.2166	1.8392		6.8248
H14	2.7417	4.0841	2.1206	5.1153	1.0814	6.4109	4.6545	2.5162	3.0753	4.9925	1.8392	7.2166	6.8248

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.873	C1	C2	H7	119.573
C1	C3	C5	123.924	C1	C3	H9	116.396
C2	C1	C3	123.873	C2	C1	H8	119.573
C2	C4	C6	123.924	C2	C4	H10	116.396
C3	C1	H8	116.554	C3	C5	H11	121.625
C3	C5	H14	121.672	C4	C2	H7	116.554
C4	C6	H12	121.625	C4	C6	H13	121.672
C5	C3	H9	119.680	C6	C4	H10	119.680
H11	C5	H14	116.702	H12	C6	H13	116.702

All results from a given calculation for C₆H₈ ((E)-hexa-1,3,5-triene)

using model chemistry: MP3=FULL/6-31+G**

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 C6H8 ((E)-hexa-1,3,5-triene)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆H₈ ((E)-hexa-1,3,5-triene)