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	hartrees
Energy at 0K	-210.116827
Energy at 298.15K	-210.122124
HF Energy	-210.116827
Nuclear repulsion energy	148.112252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3122	5.05
2	A'	3201	3061	0.45
3	A'	3166	3028	3.49
4	A'	2393	2289	31.48
5	A'	1517	1451	0.73
6	A'	1396	1336	0.68
7	A'	1224	1171	1.00
8	A'	1146	1096	0.75
9	A'	1073	1027	6.89
10	A'	973	931	26.52
11	A'	825	789	2.06
12	A'	765	732	5.65
13	A'	541	518	0.68
14	A'	208	199	3.86
15	A"	3250	3109	0.20
16	A"	3161	3023	9.93
17	A"	1474	1410	5.85
18	A"	1206	1153	0.64
19	A"	1111	1063	1.14
20	A"	1095	1048	9.15
21	A"	925	885	1.03
22	A"	833	797	10.66
23	A"	564	540	0.80
24	A"	216	207	2.28

Atom	x (Å)	y (Å)	z (Å)
H1	0.330	2.020	1.269
H2	0.330	2.020	-1.269
H3	-1.122	0.912	-1.255
H4	-1.122	0.912	1.255
H5	1.658	0.334	0.000
C6	0.581	0.217	0.000
N7	-0.231	-2.239	0.000
C8	0.137	-1.149	0.000
C9	-0.231	1.256	0.747
C10	-0.231	1.256	-0.747

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5383	3.1160	1.8268	2.4938	2.2194	4.4799	3.4195	1.0824	2.2279
H2	2.5383		1.8268	3.1160	2.4938	2.2194	4.4799	3.4195	2.2279	1.0824
H3	3.1160	1.8268		2.5104	3.1046	2.2271	3.5069	2.7216	2.2185	1.0823
H4	1.8268	3.1160	2.5104		3.1046	2.2271	3.5069	2.7216	1.0823	2.2185
H5	2.4938	2.4938	3.1046	3.1046		1.0830	3.1922	2.1245	2.2302	2.2302
C6	2.2194	2.2194	2.2271	2.2271	1.0830		2.5872	1.4367	1.5151	1.5151
N7	4.4799	4.4799	3.5069	3.5069	3.1922	2.5872		1.1506	3.5737	3.5737
C8	3.4195	3.4195	2.7216	2.7216	2.1245	1.4367	1.1506		2.5446	2.5446
C9	1.0824	2.2279	2.2185	1.0823	2.2302	1.5151	3.5737	2.5446		1.4939
C10	2.2279	1.0824	1.0823	2.2185	2.2302	1.5151	3.5737	2.5446	1.4939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.110	H1	C9	C6	116.406
H1	C9	C10	118.845	H2	C10	H3	115.110
H2	C10	C6	116.406	H2	C10	C9	118.845
H3	C10	C6	117.079	H3	C10	C9	118.007
H4	C9	C6	117.079	H4	C9	C10	118.007
H5	C6	C8	114.222	H5	C6	C9	117.308
H5	C6	C10	117.308	C6	C8	N7	179.379
C6	C9	C10	60.461	C6	C10	C9	60.461
C8	C6	C9	119.073	C8	C6	C10	119.073
C9	C6	C10	59.078

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: wB97X-D/6-311G**

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	0.154
2	H	0.154
3	H	0.165
4	H	0.165
5	H	0.178
6	C	-0.205
7	N	-0.247
8	C	0.088
9	C	-0.226
10	C	-0.226

	x	y	z	Total
	0.879	4.182	0.000	4.273
CHELPG
AIM
ESP

	x	y	z
x	5.418	0.368	0.000
y	0.368	8.568	0.000
z	0.000	0.000	5.545

<r²>	113.525
(<r²>)^1/2	10.655

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)