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	hartrees
Energy at 0K	-193.439009
Energy at 298.15K	-193.444164
HF Energy	-192.739894
Nuclear repulsion energy	147.448170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3548	3316	60.54
2	A	3350	3130	9.29
3	A	3254	3041	5.91
4	A	3244	3031	3.57
5	A	2175	2032	3.72
6	A	1568	1465	0.36
7	A	1427	1334	4.83
8	A	1263	1180	1.38
9	A	1170	1093	0.52
10	A	1115	1042	5.63
11	A	1008	942	18.39
12	A	839	784	1.05
13	A	784	733	1.95
14	A	601	561	47.55
15	A	497	464	1.20
16	A	198	185	0.55
17	A	3338	3119	0.14
18	A	3239	3027	10.84
19	A	1525	1425	1.12
20	A	1243	1161	0.47
21	A	1164	1088	2.25
22	A	1117	1043	4.72
23	A	949	887	3.18
24	A	859	803	7.29
25	A	557	520	35.81
26	A	485	453	13.36
27	A	204	190	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.641	0.000
C2	-1.076	-0.314	0.000
H3	-0.305	1.678	0.000
C4	1.276	0.326	0.747
C5	1.276	0.326	-0.747
C6	-1.988	-1.126	0.000
H7	-2.780	-1.832	0.000
H8	1.761	1.141	1.262
H9	1.319	-0.626	1.253
H10	1.761	1.141	-1.262
H11	1.319	-0.626	-1.253

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4388	1.0816	1.5116	1.5116	2.6594	3.7208	2.2236	2.2166	2.2236	2.2166
C2	1.4388		2.1368	2.5497	2.5497	1.2206	2.2820	3.4294	2.7213	3.4294	2.7213
H3	1.0816	2.1368		2.2101	2.2101	3.2706	4.2956	2.4795	3.0848	2.4795	3.0848
C4	1.5116	2.5497	2.2101		1.4943	3.6497	4.6550	1.0792	1.0788	2.2220	2.2153
C5	1.5116	2.5497	2.2101	1.4943		3.6497	4.6550	2.2220	2.2153	1.0792	1.0788
C6	2.6594	1.2206	3.2706	3.6497	3.6497		1.0614	4.5592	3.5719	4.5592	3.5719
H7	3.7208	2.2820	4.2956	4.6550	4.6550	1.0614		5.5727	4.4533	5.5727	4.4533
H8	2.2236	3.4294	2.4795	1.0792	2.2220	4.5592	5.5727		1.8214	2.5247	3.1052
H9	2.2166	2.7213	3.0848	1.0788	2.2153	3.5719	4.4533	1.8214		3.1052	2.5052
H10	2.2236	3.4294	2.4795	2.2220	1.0792	4.5592	5.5727	2.5247	3.1052		1.8214
H11	2.2166	2.7213	3.0848	2.2153	1.0788	3.5719	4.4533	3.1052	2.5052	1.8214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	179.908	C1	C4	C5	60.377
C1	C4	H8	117.267	C1	C4	H9	116.688
C1	C5	C4	60.377	C1	C5	H10	117.267
C1	C5	H11	116.688	C2	C1	H3	115.214
C2	C1	C4	119.567	C2	C1	C5	119.567
C2	C6	H7	179.946	H3	C1	C4	115.930
H3	C1	C5	115.930	C4	C1	C5	59.247
C4	C5	H10	118.513	C4	C5	H11	117.936
C5	C4	H8	118.513	C5	C4	H9	117.936
H8	C4	H9	115.133	H10	C5	H11	115.133

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)