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	hartrees
Energy at 0K	-208.093460
Energy at 298.15K	-208.098842
HF Energy	-207.615315
Nuclear repulsion energy	146.075990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3150	3.46
2	A'	3242	3084	0.18
3	A'	3211	3055	1.59
4	A'	2155	2050	0.72
5	A'	1569	1493	0.80
6	A'	1415	1346	0.39
7	A'	1185	1127	2.62
8	A'	1177	1120	2.80
9	A'	1149	1093	11.05
10	A'	938	892	17.26
11	A'	841	800	0.59
12	A'	759	722	4.64
13	A'	548	521	1.79
14	A'	232	221	2.25
15	A"	3296	3136	0.17
16	A"	3206	3050	5.26
17	A"	1557	1481	4.57
18	A"	1247	1186	0.75
19	A"	1184	1126	0.98
20	A"	1165	1108	12.91
21	A"	947	901	0.61
22	A"	828	788	10.11
23	A"	581	553	0.16
24	A"	235	224	1.12

Atom	x (Å)	y (Å)	z (Å)
H1	-1.812	1.005	1.275
H2	-1.812	1.005	-1.275
H3	-1.247	-0.738	-1.268
H4	-1.247	-0.738	1.268
H5	0.247	1.690	0.000
C6	0.000	0.635	0.000
N7	2.054	-1.010	0.000
C8	1.129	-0.264	0.000
C9	-1.273	0.218	0.761
C10	-1.273	0.218	-0.761

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5500	3.1345	1.8323	2.5172	2.2464	4.5422	3.4469	1.0830	2.2486
H2	2.5500		1.8323	3.1345	2.5172	2.2464	4.5422	3.4469	2.2486	1.0830
H3	3.1345	1.8323		2.5364	3.1206	2.2471	3.5472	2.7347	2.2439	1.0828
H4	1.8323	3.1345	2.5364		3.1206	2.2471	3.5472	2.7347	1.0828	2.2439
H5	2.5172	2.5172	3.1206	3.1206		1.0836	3.2481	2.1427	2.2489	2.2489
C6	2.2464	2.2464	2.2471	2.2471	1.0836		2.6312	1.4423	1.5409	1.5409
N7	4.5422	4.5422	3.5472	3.5472	3.2481	2.6312		1.1889	3.6276	3.6276
C8	3.4469	3.4469	2.7347	2.7347	2.1427	1.4423	1.1889		2.5653	2.5653
C9	1.0830	2.2486	2.2439	1.0828	2.2489	1.5409	3.6276	2.5653		1.5228
C10	2.2486	1.0830	1.0828	2.2439	2.2489	1.5409	3.6276	2.5653	1.5228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.569	H1	C9	C6	116.688
H1	C9	C10	118.310	H2	C10	H3	115.569
H2	C10	C6	116.688	H2	C10	C9	118.310
H3	C10	C6	116.760	H3	C10	C9	117.905
H4	C9	C6	116.760	H4	C9	C10	117.905
H5	C6	C8	115.313	H5	C6	C9	116.861
H5	C6	C10	116.861	C6	C8	N7	179.645
C6	C9	C10	60.387	C6	C10	C9	60.387
C8	C6	C9	118.571	C8	C6	C10	118.571
C9	C6	C10	59.225

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)