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	hartrees
Energy at 0K	-35.399340
Energy at 298.15K	-35.404577
Nuclear repulsion energy	75.861307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3148	20.40
2	A'	3155	3075	3.32
3	A'	3119	3039	7.28
4	A'	2226	2169	37.01
5	A'	1502	1463	0.94
6	A'	1375	1340	0.27
7	A'	1206	1175	0.94
8	A'	1139	1110	1.56
9	A'	1082	1055	10.09
10	A'	938	914	26.83
11	A'	811	791	1.82
12	A'	743	724	8.46
13	A'	515	502	3.25
14	A'	211	205	2.39
15	A"	3213	3131	0.20
16	A"	3110	3031	19.93
17	A"	1479	1441	5.10
18	A"	1201	1171	1.05
19	A"	1121	1092	0.03
20	A"	1102	1074	14.18
21	A"	895	872	0.08
22	A"	813	792	14.21
23	A"	536	523	0.04
24	A"	212	206	1.50

Atom	x (Å)	y (Å)	z (Å)
H1	-1.838	0.858	1.286
H2	-1.838	0.858	-1.286
H3	-1.167	-0.846	-1.277
H4	-1.167	-0.846	1.277
H5	0.181	1.686	0.000
C6	0.000	0.614	0.000
N7	2.199	-0.851	0.000
C8	1.214	-0.191	0.000
C9	-1.252	0.107	0.764
C10	-1.252	0.107	-0.764

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5726	3.1502	1.8314	2.5330	2.2568	4.5685	3.4743	1.0863	2.2606
H2	2.5726		1.8314	3.1502	2.5330	2.2568	4.5685	3.4743	2.2606	1.0863
H3	3.1502	1.8314		2.5537	3.1398	2.2640	3.5999	2.7800	2.2541	1.0859
H4	1.8314	3.1502	2.5537		3.1398	2.2640	3.5999	2.7800	1.0859	2.2541
H5	2.5330	2.5330	3.1398	3.1398		1.0867	3.2415	2.1428	2.2646	2.2646
C6	2.2568	2.2568	2.2640	2.2640	1.0867		2.6420	1.4568	1.5520	1.5520
N7	4.5685	4.5685	3.5999	3.5999	3.2415	2.6420		1.1853	3.6618	3.6618
C8	3.4743	3.4743	2.7800	2.7800	2.1428	1.4568	1.1853		2.5987	2.5987
C9	1.0863	2.2606	2.2541	1.0859	2.2646	1.5520	3.6618	2.5987		1.5278
C10	2.2606	1.0863	1.0859	2.2541	2.2646	1.5520	3.6618	2.5987	1.5278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.944	H1	C9	C6	116.504
H1	C9	C10	118.743	H2	C10	H3	114.944
H2	C10	C6	116.504	H2	C10	C9	118.743
H3	C10	C6	117.148	H3	C10	C9	118.189
H4	C9	C6	117.148	H4	C9	C10	118.189
H5	C6	C8	114.009	H5	C6	C9	117.146
H5	C6	C10	117.146	C6	C8	N7	179.765
C6	C9	C10	60.513	C6	C10	C9	60.513
C8	C6	C9	119.441	C8	C6	C10	119.441
C9	C6	C10	58.974

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: B3LYP/CEP-121G

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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Number	Element	Mulliken
1	H	0.169
2	H	0.169
3	H	0.183
4	H	0.183
5	H	0.209
6	C	0.011
7	N	0.236
8	C	-0.474
9	C	-0.343
10	C	-0.343

	x	y	z	Total
	-3.928	2.018	0.000	4.416
CHELPG
AIM
ESP

	x	y	z
x	8.677	-1.291	0.000
y	-1.291	6.028	0.000
z	0.000	0.000	5.689

<r²>	94.577
(<r²>)^1/2	9.725

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)