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	hartrees
Energy at 0K	-209.524908
Energy at 298.15K	-209.530221
HF Energy	-208.798213
Nuclear repulsion energy	147.572542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3136	3.38
2	A'	3276	3061	0.61
3	A'	3250	3037	1.87
4	A'	2224	2078	3.11
5	A'	1569	1466	0.64
6	A'	1428	1334	0.24
7	A'	1262	1180	1.40
8	A'	1169	1093	0.36
9	A'	1122	1048	5.89
10	A'	1004	938	22.96
11	A'	840	784	1.31
12	A'	782	731	2.68
13	A'	526	491	0.30
14	A'	210	196	3.84
15	A"	3345	3125	0.23
16	A"	3245	3032	5.85
17	A"	1527	1427	2.04
18	A"	1243	1162	0.57
19	A"	1160	1084	3.21
20	A"	1128	1054	5.47
21	A"	951	889	0.81
22	A"	863	807	8.38
23	A"	544	508	0.65
24	A"	216	202	2.49

Atom	x (Å)	y (Å)	z (Å)
H1	-1.775	1.033	1.264
H2	-1.775	1.033	-1.264
H3	-1.250	-0.712	-1.252
H4	-1.250	-0.712	1.252
H5	0.272	1.672	0.000
C6	0.000	0.626	0.000
N7	2.023	-1.039	0.000
C8	1.116	-0.282	0.000
C9	-1.257	0.241	0.746
C10	-1.257	0.241	-0.746

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5275	3.1065	1.8220	2.4885	2.2162	4.5067	3.4182	1.0788	2.2218
H2	2.5275		1.8220	3.1065	2.4885	2.2162	4.5067	3.4182	2.2218	1.0788
H3	3.1065	1.8220		2.5046	3.0930	2.2186	3.5196	2.7119	2.2141	1.0787
H4	1.8220	3.1065	2.5046		3.0930	2.2186	3.5196	2.7119	1.0787	2.2141
H5	2.4885	2.4885	3.0930	3.0930		1.0801	3.2271	2.1284	2.2227	2.2227
C6	2.2162	2.2162	2.2186	2.2186	1.0801		2.6201	1.4392	1.5115	1.5115
N7	4.5067	4.5067	3.5196	3.5196	3.2271	2.6201		1.1809	3.5984	3.5984
C8	3.4182	3.4182	2.7119	2.7119	2.1284	1.4392	1.1809		2.5419	2.5419
C9	1.0788	2.2218	2.2141	1.0787	2.2227	1.5115	3.5984	2.5419		1.4927
C10	2.2218	1.0788	1.0787	2.2141	2.2227	1.5115	3.5984	2.5419	1.4927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.240	H1	C9	C6	116.659
H1	C9	C10	118.661	H2	C10	H3	115.240
H2	C10	C6	116.659	H2	C10	C9	118.661
H3	C10	C6	116.877	H3	C10	C9	117.974
H4	C9	C6	116.877	H4	C9	C10	117.974
H5	C6	C8	114.555	H5	C6	C9	117.137
H5	C6	C10	117.137	C6	C8	N7	179.252
C6	C9	C10	60.412	C6	C10	C9	60.412
C8	C6	C9	118.939	C8	C6	C10	118.939
C9	C6	C10	59.177

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)