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	hartrees
Energy at 0K	-209.701558
Energy at 298.15K	-209.706818
Nuclear repulsion energy	147.938645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3136	1.05
2	A'	3237	3073	0.23
3	A'	3198	3037	1.38
4	A'	2203	2092	5.42
5	A'	1518	1441	0.83
6	A'	1394	1323	0.19
7	A'	1232	1170	0.97
8	A'	1145	1088	0.42
9	A'	1069	1015	8.14
10	A'	979	930	22.46
11	A'	823	781	1.74
12	A'	765	727	2.86
13	A'	520	493	0.37
14	A'	205	195	3.69
15	A"	3291	3125	0.25
16	A"	3194	3032	4.16
17	A"	1482	1407	3.44
18	A"	1211	1149	0.71
19	A"	1123	1066	2.36
20	A"	1088	1033	6.31
21	A"	915	869	1.26
22	A"	841	798	8.93
23	A"	536	509	0.32
24	A"	212	201	2.14

Atom	x (Å)	y (Å)	z (Å)
H1	0.311	2.026	1.260
H2	0.311	2.026	-1.260
H3	-1.116	0.886	-1.252
H4	-1.116	0.886	1.252
H5	1.661	0.357	0.000
C6	0.591	0.226	0.000
N7	-0.235	-2.246	0.000
C8	0.146	-1.138	0.000
C9	-0.235	1.251	0.748
C10	-0.235	1.251	-0.748

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5206	3.1061	1.8271	2.4896	2.2150	4.4873	3.4096	1.0783	2.2211
H2	2.5206		1.8271	3.1061	2.4896	2.2150	4.4873	3.4096	2.2211	1.0783
H3	3.1061	1.8271		2.5031	3.0923	2.2171	3.4856	2.6936	2.2152	1.0783
H4	1.8271	3.1061	2.5031		3.0923	2.2171	3.4856	2.6936	1.0783	2.2152
H5	2.4896	2.4896	3.0923	3.0923		1.0788	3.2205	2.1282	2.2263	2.2263
C6	2.2150	2.2150	2.2171	2.2171	1.0788		2.6063	1.4345	1.5137	1.5137
N7	4.4873	4.4873	3.4856	3.4856	3.2205	2.6063		1.1719	3.5754	3.5754
C8	3.4096	3.4096	2.6936	2.6936	2.1282	1.4345	1.1719		2.5316	2.5316
C9	1.0783	2.2211	2.2152	1.0783	2.2263	1.5137	3.5754	2.5316		1.4959
C10	2.2211	1.0783	1.0783	2.2152	2.2263	1.5137	3.5754	2.5316	1.4959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.818	H1	C9	C6	116.411
H1	C9	C10	118.369	H2	C10	H3	115.818
H2	C10	C6	116.411	H2	C10	C9	118.369
H3	C10	C6	116.598	H3	C10	C9	117.844
H4	C9	C6	116.598	H4	C9	C10	117.844
H5	C6	C8	114.994	H5	C6	C9	117.376
H5	C6	C10	117.376	C6	C8	N7	179.028
C6	C9	C10	60.388	C6	C10	C9	60.388
C8	C6	C9	118.323	C8	C6	C10	118.323
C9	C6	C10	59.223

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2/cc-pVTZ

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 C4H5N (Cyclopropanecarbonitrile)

using model chemistry: MP2/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)