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	hartrees
Energy at 0K	-193.139723
Energy at 298.15K	-193.144864
HF Energy	-192.650605
Nuclear repulsion energy	145.207825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3445	3305	37.90
2	A	3239	3108	22.58
3	A	3157	3029	7.93
4	A	3148	3020	6.27
5	A	2189	2100	2.98
6	A	1551	1488	0.63
7	A	1420	1362	2.96
8	A	1230	1180	0.34
9	A	1167	1120	2.60
10	A	1153	1106	7.21
11	A	972	933	16.42
12	A	838	804	0.54
13	A	760	729	3.88
14	A	629	603	54.47
15	A	511	490	6.84
16	A	197	189	1.01
17	A	3224	3094	0.11
18	A	3141	3014	15.46
19	A	1530	1468	2.56
20	A	1244	1194	0.86
21	A	1189	1140	0.68
22	A	1158	1111	7.57
23	A	950	911	1.54
24	A	850	816	14.18
25	A	568	545	57.04
26	A	490	471	3.83
27	A	176	169	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.638	0.000
C2	-1.109	-0.317	0.000
H3	-0.307	1.686	0.000
C4	1.301	0.333	0.762
C5	1.301	0.333	-0.762
C6	-2.021	-1.137	0.000
H7	-2.828	-1.844	0.000
H8	1.785	1.156	1.289
H9	1.366	-0.627	1.275
H10	1.785	1.156	-1.289
H11	1.366	-0.627	-1.275

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4633	1.0925	1.5380	1.5380	2.6893	3.7619	2.2618	2.2561	2.2618	2.2561
C2	1.4633		2.1575	2.6099	2.6099	1.2262	2.2987	3.4938	2.8013	3.4938	2.8013
H3	1.0925	2.1575		2.2353	2.2353	3.3024	4.3373	2.5135	3.1263	2.5135	3.1263
C4	1.5380	2.6099	2.2353		1.5232	3.7114	4.7291	1.0907	1.0906	2.2620	2.2523
C5	1.5380	2.6099	2.2353	1.5232		3.7114	4.7291	2.2620	2.2523	1.0907	1.0906
C6	2.6893	1.2262	3.3024	3.7114	3.7114		1.0726	4.6262	3.6542	4.6262	3.6542
H7	3.7619	2.2987	4.3373	4.7291	4.7291	1.0726		5.6511	4.5487	5.6511	4.5487
H8	2.2618	3.4938	2.5135	1.0907	2.2620	4.6262	5.6511		1.8319	2.5780	3.1509
H9	2.2561	2.8013	3.1263	1.0906	2.2523	3.6542	4.5487	1.8319		3.1509	2.5495
H10	2.2618	3.4938	2.5135	2.2620	1.0907	4.6262	5.6511	2.5780	3.1509		1.8319
H11	2.2561	2.8013	3.1263	2.2523	1.0906	3.6542	4.5487	3.1509	2.5495	1.8319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	178.720	C1	C4	C5	60.318
C1	C4	H8	117.722	C1	C4	H9	117.231
C1	C5	C4	60.318	C1	C5	H10	117.722
C1	C5	H11	117.231	C2	C1	H3	114.385
C2	C1	C4	120.807	C2	C1	C5	120.807
C2	C6	H7	179.221	H3	C1	C4	115.324
H3	C1	C5	115.324	C4	C1	C5	59.364
C4	C5	H10	118.916	C4	C5	H11	118.070
C5	C4	H8	118.916	C5	C4	H9	118.070
H8	C4	H9	114.237	H10	C5	H11	114.237

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: CCD/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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All results from a given calculation for C5H6 (Cyclopropylacetylene)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)