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	hartrees
Energy at 0K	-210.170219
Energy at 298.15K	-210.175467
HF Energy	-210.170219
Nuclear repulsion energy	147.570909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3139	5.83
2	A'	3178	3067	1.21
3	A'	3154	3044	4.59
4	A'	2326	2244	30.74
5	A'	1505	1452	0.86
6	A'	1376	1328	0.31
7	A'	1220	1177	1.30
8	A'	1134	1094	0.49
9	A'	1070	1033	4.40
10	A'	974	940	21.21
11	A'	806	777	1.74
12	A'	753	727	2.55
13	A'	528	510	0.47
14	A'	211	203	3.97
15	A"	3238	3125	0.17
16	A"	3150	3040	11.86
17	A"	1476	1424	1.79
18	A"	1204	1162	0.42
19	A"	1114	1075	1.91
20	A"	1086	1048	4.95
21	A"	906	874	0.49
22	A"	826	797	6.86
23	A"	552	533	0.58
24	A"	215	207	2.60

Atom	x (Å)	y (Å)	z (Å)
H1	0.338	2.024	1.272
H2	0.338	2.024	-1.272
H3	-1.122	0.926	-1.261
H4	-1.122	0.926	1.261
H5	1.656	0.329	0.000
C6	0.578	0.215	0.000
N7	-0.229	-2.255	0.000
C8	0.132	-1.151	0.000
C9	-0.229	1.264	0.749
C10	-0.229	1.264	-0.749

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5449	3.1233	1.8268	2.4957	2.2249	4.5004	3.4270	1.0837	2.2325
H2	2.5449		1.8268	3.1233	2.4957	2.2249	4.5004	3.4270	2.2325	1.0837
H3	3.1233	1.8268		2.5218	3.1085	2.2325	3.5365	2.7344	2.2245	1.0831
H4	1.8268	3.1233	2.5218		3.1085	2.2325	3.5365	2.7344	1.0831	2.2245
H5	2.4957	2.4957	3.1085	3.1085		1.0844	3.1991	2.1248	2.2335	2.2335
C6	2.2249	2.2249	2.2325	2.2325	1.0844		2.5985	1.4369	1.5206	1.5206
N7	4.5004	4.5004	3.5365	3.5365	3.1991	2.5985		1.1616	3.5978	3.5978
C8	3.4270	3.4270	2.7344	2.7344	2.1248	1.4369	1.1616		2.5541	2.5541
C9	1.0837	2.2325	2.2245	1.0831	2.2335	1.5206	3.5978	2.5541		1.4971
C10	2.2325	1.0837	1.0831	2.2245	2.2335	1.5206	3.5978	2.5541	1.4971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.932	H1	C9	C6	116.361
H1	C9	C10	118.910	H2	C10	H3	114.932
H2	C10	C6	116.361	H2	C10	C9	118.910
H3	C10	C6	117.068	H3	C10	C9	118.233
H4	C9	C6	117.068	H4	C9	C10	118.233
H5	C6	C8	114.131	H5	C6	C9	117.065
H5	C6	C10	117.065	C6	C8	N7	179.950
C6	C9	C10	60.511	C6	C10	C9	60.511
C8	C6	C9	119.419	C8	C6	C10	119.419
C9	C6	C10	58.978

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)