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	hartrees
Energy at 0K	-193.457724
Energy at 298.15K	-193.462934
HF Energy	-192.747363
Nuclear repulsion energy	147.078986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3527	3324	58.12
2	A	3322	3131	13.55
3	A	3242	3055	5.65
4	A	3225	3039	5.65
5	A	2241	2111	10.64
6	A	1569	1478	0.58
7	A	1429	1347	5.20
8	A	1257	1184	0.94
9	A	1169	1101	0.41
10	A	1122	1057	5.16
11	A	997	939	21.22
12	A	835	787	1.24
13	A	778	733	3.33
14	A	637	600	57.20
15	A	505	475	6.70
16	A	198	186	1.58
17	A	3310	3119	0.14
18	A	3219	3033	15.29
19	A	1522	1434	1.14
20	A	1241	1169	0.80
21	A	1166	1098	1.51
22	A	1128	1063	4.31
23	A	954	899	5.61
24	A	860	810	9.00
25	A	580	546	64.60
26	A	504	475	1.27
27	A	201	189	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.640	0.000
C2	-1.083	-0.324	0.000
H3	-0.317	1.675	0.000
C4	1.279	0.332	0.751
C5	1.279	0.332	-0.751
C6	-1.989	-1.131	0.000
H7	-2.785	-1.837	0.000
H8	1.761	1.152	1.265
H9	1.334	-0.621	1.258
H10	1.761	1.152	-1.265
H11	1.334	-0.621	-1.258

	C1	C2	H3	C4	C5	C6	H7	H8	H9	H10	H11
C1		1.4501	1.0826	1.5148	1.5148	2.6636	3.7274	2.2280	2.2248	2.2280	2.2248
C2	1.4501		2.1410	2.5642	2.5642	1.2135	2.2774	3.4451	2.7408	3.4451	2.7408
H3	1.0826	2.1410		2.2169	2.2169	3.2670	4.2930	2.4883	3.0947	2.4883	3.0947
C4	1.5148	2.5642	2.2169		1.5012	3.6590	4.6678	1.0812	1.0808	2.2290	2.2236
C5	1.5148	2.5642	2.2169	1.5012		3.6590	4.6678	2.2290	2.2236	1.0812	1.0808
C6	2.6636	1.2135	3.2670	3.6590	3.6590		1.0638	4.5692	3.5896	4.5692	3.5896
H7	3.7274	2.2774	4.2930	4.6678	4.6678	1.0638		5.5859	4.4751	5.5859	4.4751
H8	2.2280	3.4451	2.4883	1.0812	2.2290	4.5692	5.5859		1.8234	2.5309	3.1131
H9	2.2248	2.7408	3.0947	1.0808	2.2236	3.5896	4.4751	1.8234		3.1131	2.5155
H10	2.2280	3.4451	2.4883	2.2290	1.0812	4.5692	5.5859	2.5309	3.1131		1.8234
H11	2.2248	2.7408	3.0947	2.2236	1.0808	3.5896	4.4751	3.1131	2.5155	1.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C6	179.959	C1	C4	C5	60.296
C1	C4	H8	117.260	C1	C4	H9	117.017
C1	C5	C4	60.296	C1	C5	H10	117.260
C1	C5	H11	117.017	C2	C1	H3	114.644
C2	C1	C4	119.724	C2	C1	C5	119.724
C2	C6	H7	179.884	H3	C1	C4	116.198
H3	C1	C5	116.198	C4	C1	C5	59.407
C4	C5	H10	118.437	C4	C5	H11	117.987
C5	C4	H8	118.437	C5	C4	H9	117.987
H8	C4	H9	114.994	H10	C5	H11	114.994

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)

using model chemistry: CCD/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 C5H6 (Cyclopropylacetylene)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for C₅H₆ (Cyclopropylacetylene)