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	hartrees
Energy at 0K	-209.377281
Energy at 298.15K	-209.382711
HF Energy	-208.794161
Nuclear repulsion energy	148.266797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3117	5.65
2	A'	3312	3059	0.62
3	A'	3282	3032	3.06
4	A'	2491	2301	23.03
5	A'	1611	1488	0.45
6	A'	1475	1362	0.61
7	A'	1294	1195	1.52
8	A'	1206	1114	1.09
9	A'	1160	1072	4.34
10	A'	1026	948	25.83
11	A'	858	792	2.35
12	A'	800	739	5.03
13	A'	557	514	0.43
14	A'	223	206	4.73
15	A"	3362	3105	0.25
16	A"	3275	3025	8.25
17	A"	1561	1441	3.02
18	A"	1273	1176	0.72
19	A"	1194	1103	1.08
20	A"	1173	1084	7.27
21	A"	997	921	1.46
22	A"	886	818	9.65
23	A"	577	533	1.34
24	A"	226	209	3.20

Atom	x (Å)	y (Å)	z (Å)
H1	-1.770	1.031	1.265
H2	-1.770	1.031	-1.265
H3	-1.253	-0.712	-1.255
H4	-1.253	-0.712	1.255
H5	0.283	1.664	0.000
C6	0.000	0.622	0.000
N7	2.009	-1.024	0.000
C8	1.121	-0.289	0.000
C9	-1.253	0.239	0.745
C10	-1.253	0.239	-0.745

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5292	3.1067	1.8178	2.4923	2.2131	4.4833	3.4205	1.0793	2.2207
H2	2.5292		1.8178	3.1067	2.4923	2.2131	4.4833	3.4205	2.2207	1.0793
H3	3.1067	1.8178		2.5097	3.0947	2.2189	3.5091	2.7185	2.2140	1.0791
H4	1.8178	3.1067	2.5097		3.0947	2.2189	3.5091	2.7185	1.0791	2.2140
H5	2.4923	2.4923	3.0947	3.0947		1.0797	3.1944	2.1258	2.2230	2.2230
C6	2.2131	2.2131	2.2189	2.2189	1.0797		2.5971	1.4449	1.5066	1.5066
N7	4.4833	4.4833	3.5091	3.5091	3.1944	2.5971		1.1522	3.5759	3.5759
C8	3.4205	3.4205	2.7185	2.7185	2.1258	1.4449	1.1522		2.5433	2.5433
C9	1.0793	2.2207	2.2140	1.0791	2.2230	1.5066	3.5759	2.5433		1.4892
C10	2.2207	1.0793	1.0791	2.2140	2.2230	1.5066	3.5759	2.5433	1.4892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.743	H1	C9	C6	116.733
H1	C9	C10	118.799	H2	C10	H3	114.743
H2	C10	C6	116.733	H2	C10	C9	118.799
H3	C10	C6	117.262	H3	C10	C9	118.220
H4	C9	C6	117.262	H4	C9	C10	118.220
H5	C6	C8	113.931	H5	C6	C9	117.579
H5	C6	C10	117.579	C6	C8	N7	179.521
C6	C9	C10	60.381	C6	C10	C9	60.381
C8	C6	C9	118.995	C8	C6	C10	118.995
C9	C6	C10	59.237

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)