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	hartrees
Energy at 0K	-194.527720
Energy at 298.15K	-194.534339
HF Energy	-194.691138
Nuclear repulsion energy	146.524711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3244	3131	17.15
2	A₁	3153	3042	7.30
3	A₁	3146	3036	27.67
4	A₁	3132	3022	8.19
5	A₁	1593	1537	2.34
6	A₁	1447	1396	0.59
7	A₁	1306	1260	3.08
8	A₁	1255	1211	0.08
9	A₁	920	888	0.01
10	A₁	492	475	0.00
11	A₁	201	194	0.13
12	A₂	996	961	0.00
13	A₂	854	824	0.00
14	A₂	591	571	0.00
15	A₂	259	250	0.00
16	B₁	1042	1005	30.05
17	B₁	875	845	35.01
18	B₁	842	812	31.29
19	B₁	634	611	7.13
20	B₁	159	154	0.73
21	B₂	3244	3130	3.45
22	B₂	3151	3041	5.67
23	B₂	3131	3021	0.34
24	B₂	1523	1469	1.88
25	B₂	1487	1435	6.02
26	B₂	1301	1255	0.00
27	B₂	1285	1240	0.26
28	B₂	1182	1141	0.13
29	B₂	1010	975	2.83
30	B₂	449	433	4.40

Atom	y (Å)	z (Å)
C1	0.000	0.271
H2	0.000	1.360
C3	1.246	-0.390
C4	-1.246	-0.390
C5	2.460	0.226
C6	-2.460	0.226
H7	1.220	-1.480
H8	-1.220	-1.480
H9	2.544	1.308
H10	3.385	-0.338
H11	-2.544	1.308
H12	-3.385	-0.338

	C1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.0891	1.4107	1.4107	2.4606	2.4606	2.1335	2.1335	2.7471	3.4393	2.7471	3.4393
H2	1.0891		2.1485	2.1485	2.7090	2.7090	3.0905	3.0905	2.5441	3.7870	2.5441	3.7870
C3	1.4107	2.1485		2.4926	1.3614	3.7574	1.0898	2.6960	2.1373	2.1392	4.1531	4.6315
C4	1.4107	2.1485	2.4926		3.7574	1.3614	2.6960	1.0898	4.1531	4.6315	2.1373	2.1392
C5	2.4606	2.7090	1.3614	3.7574		4.9205	2.1090	4.0561	1.0855	1.0833	5.1195	5.8723
C6	2.4606	2.7090	3.7574	1.3614	4.9205		4.0561	2.1090	5.1195	5.8723	1.0855	1.0833
H7	2.1335	3.0905	1.0898	2.6960	2.1090	4.0561		2.4395	3.0863	2.4475	4.6836	4.7440
H8	2.1335	3.0905	2.6960	1.0898	4.0561	2.1090	2.4395		4.6836	4.7440	3.0863	2.4475
H9	2.7471	2.5441	2.1373	4.1531	1.0855	5.1195	3.0863	4.6836		1.8492	5.0872	6.1529
H10	3.4393	3.7870	2.1392	4.6315	1.0833	5.8723	2.4475	4.7440	1.8492		6.1529	6.7698
H11	2.7471	2.5441	4.1531	2.1373	5.1195	1.0855	4.6836	3.0863	5.0872	6.1529		1.8492
H12	3.4393	3.7870	4.6315	2.1392	5.8723	1.0833	4.7440	2.4475	6.1529	6.7698	1.8492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	124.759	C1	C3	H7	116.947
C1	C4	H6	124.759	C1	C4	H8	116.947
C2	C1	C3	118.034	C2	C1	C4	118.034
C3	C1	C4	123.931	C3	C5	H9	121.229
C3	C5	H10	121.500	C4	H6	H11	121.229
C4	H6	H12	121.500	C5	C3	H7	118.294
H6	C4	H8	118.294	H9	C5	H10	117.271
H11	H6	H12	117.271

All results from a given calculation for C₅H₇ (1,3-pentadienyl radical)

using model chemistry: G4

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 C5H7 (1,3-pentadienyl radical)

using model chemistry: G4

States and conformations

All results from a given calculation for C₅H₇ (1,3-pentadienyl radical)