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	hartrees
Energy at 0K	-209.479824
Energy at 298.15K	-209.485146
HF Energy	-208.792896
Nuclear repulsion energy	147.552577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3109	4.92
2	A'	3251	3051	0.52
3	A'	3221	3023	2.52
4	A'	2445	2295	17.63
5	A'	1571	1475	0.58
6	A'	1439	1351	0.40
7	A'	1263	1186	1.33
8	A'	1178	1105	1.06
9	A'	1127	1058	5.81
10	A'	1002	940	22.95
11	A'	841	789	1.86
12	A'	784	735	4.26
13	A'	536	504	0.37
14	A'	213	200	4.24
15	A"	3300	3098	0.24
16	A"	3215	3018	6.94
17	A"	1526	1432	3.34
18	A"	1242	1166	0.79
19	A"	1161	1089	2.87
20	A"	1133	1064	6.15
21	A"	964	904	1.03
22	A"	867	814	9.31
23	A"	550	516	0.89
24	A"	216	203	2.83

Atom	x (Å)	y (Å)	z (Å)
H1	0.320	2.032	1.271
H2	0.320	2.032	-1.271
H3	-1.122	0.909	-1.260
H4	-1.122	0.909	1.260
H5	1.663	0.346	0.000
C6	0.585	0.226	0.000
N7	-0.232	-2.252	0.000
C8	0.140	-1.153	0.000
C9	-0.232	1.258	0.749
C10	-0.232	1.258	-0.749

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5422	3.1223	1.8278	2.5029	2.2246	4.5029	3.4344	1.0846	2.2324
H2	2.5422		1.8278	3.1223	2.5029	2.2246	4.5029	3.4344	2.2324	1.0846
H3	3.1223	1.8278		2.5207	3.1087	2.2292	3.5178	2.7269	2.2250	1.0843
H4	1.8278	3.1223	2.5207		3.1087	2.2292	3.5178	2.7269	1.0843	2.2250
H5	2.5029	2.5029	3.1087	3.1087		1.0849	3.2157	2.1366	2.2329	2.2329
C6	2.2246	2.2246	2.2292	2.2292	1.0849		2.6092	1.4489	1.5147	1.5147
N7	4.5029	4.5029	3.5178	3.5178	3.2157	2.6092		1.1604	3.5896	3.5896
C8	3.4344	3.4344	2.7269	2.7269	2.1366	1.4489	1.1604		2.5525	2.5525
C9	1.0846	2.2324	2.2250	1.0843	2.2329	1.5147	3.5896	2.5525		1.4976
C10	2.2324	1.0846	1.0843	2.2250	2.2329	1.5147	3.5896	2.5525	1.4976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.858	H1	C9	C6	116.737
H1	C9	C10	118.790	H2	C10	H3	114.858
H2	C10	C6	116.737	H2	C10	C9	118.790
H3	C10	C6	117.152	H3	C10	C9	118.148
H4	C9	C6	117.152	H4	C9	C10	118.148
H5	C6	C8	114.203	H5	C6	C9	117.439
H5	C6	C10	117.439	C6	C8	N7	179.134
C6	C9	C10	60.374	C6	C10	C9	60.374
C8	C6	C9	118.907	C8	C6	C10	118.907
C9	C6	C10	59.253

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP3/6-31G*

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 C4H5N (Cyclopropanecarbonitrile)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)