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	hartrees
Energy at 0K	-193.453660
Energy at 298.15K	-193.458826
HF Energy	-192.743158
Nuclear repulsion energy	145.928224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3476	3335	61.59
2	A	3273	3140	11.44
3	A	3195	3065	5.88
4	A	3173	3044	4.94
5	A	2201	2111	6.35
6	A	1517	1456	0.52
7	A	1392	1335	4.41
8	A	1229	1179	1.20
9	A	1138	1092	0.49
10	A	1076	1032	3.66
11	A	978	938	17.41
12	A	812	779	1.52
13	A	760	729	2.45
14	A	648	621	36.78
15	A	487	467	5.08
16	A	194	186	1.09
17	A	3259	3127	0.18
18	A	3165	3037	12.60
19	A	1463	1404	1.46
20	A	1202	1153	0.59
21	A	1123	1078	1.44
22	A	1084	1040	3.39
23	A	933	895	5.48
24	A	830	796	6.25
25	A	598	574	41.40
26	A	501	480	0.06
27	A	204	195	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.650	0.000
C2	-1.088	-0.322	0.000
H3	-0.321	1.697	0.000
C4	1.286	0.332	0.756
C5	1.286	0.332	-0.756
C6	-2.000	-1.140	0.000
H7	-2.801	-1.860	0.000
H8	1.777	1.161	1.276
H9	1.332	-0.634	1.269
H10	1.777	1.161	-1.276
H11	1.332	-0.634	-1.269

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4586	1.0958	1.5256	1.5256	2.6839	3.7612	2.2465	2.2435	2.2465	2.2435
C2	1.4586		2.1595	2.5764	2.5764	1.2253	2.3026	3.4693	2.7509	3.4693	2.7509
H3	1.0958	2.1595		2.2407	2.2407	3.2966	4.3364	2.5134	3.1274	2.5134	3.1274
C4	1.5256	2.5764	2.2407		1.5125	3.6796	4.6996	1.0949	1.0946	2.2491	2.2440
C5	1.5256	2.5764	2.2407	1.5125		3.6796	4.6996	2.2491	2.2440	1.0949	1.0946
C6	2.6839	1.2253	3.2966	3.6796	3.6796		1.0773	4.6032	3.6016	4.6032	3.6016
H7	3.7612	2.3026	4.3364	4.6996	4.6996	1.0773		5.6318	4.4946	5.6318	4.4946
H8	2.2465	3.4693	2.5134	1.0949	2.2491	4.6032	5.6318		1.8499	2.5520	3.1460
H9	2.2435	2.7509	3.1274	1.0946	2.2440	3.6016	4.4946	1.8499		3.1460	2.5372
H10	2.2465	3.4693	2.5134	2.2491	1.0949	4.6032	5.6318	2.5520	3.1460		1.8499
H11	2.2435	2.7509	3.1274	2.2440	1.0946	3.6016	4.4946	3.1460	2.5372	1.8499

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	179.832	C1	C4	C5	60.284
C1	C4	H8	117.072	C1	C4	H9	116.836
C1	C5	C4	60.284	C1	C5	H10	117.072
C1	C5	H11	116.836	C2	C1	H3	114.684
C2	C1	C4	119.370	C2	C1	C5	119.370
C2	C6	H7	179.969	H3	C1	C4	116.516
H3	C1	C5	116.516	C4	C1	C5	59.431
C4	C5	H10	118.340	C4	C5	H11	117.911
C5	C4	H8	118.340	C5	C4	H9	117.911
H8	C4	H9	115.321	H10	C5	H11	115.321

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)