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	hartrees
Energy at 0K	-34.495217
Energy at 298.15K	-34.500700
Nuclear repulsion energy	76.885258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3441	3090	29.74
2	A'	3389	3043	4.15
3	A'	3342	3001	11.51
4	A'	2597	2332	57.85
5	A'	1651	1483	0.10
6	A'	1493	1341	2.14
7	A'	1308	1174	2.04
8	A'	1224	1099	1.59
9	A'	1178	1058	2.59
10	A'	1019	915	32.62
11	A'	855	768	4.90
12	A'	802	720	10.04
13	A'	570	512	1.31
14	A'	232	208	4.47
15	A"	3427	3078	0.14
16	A"	3333	2993	27.08
17	A"	1589	1427	0.99
18	A"	1289	1158	0.62
19	A"	1216	1092	1.17
20	A"	1195	1073	4.99
21	A"	1011	908	3.68
22	A"	882	792	11.27
23	A"	594	533	0.82
24	A"	233	210	2.89

Atom	x (Å)	y (Å)	z (Å)
H1	-1.810	0.875	1.269
H2	-1.810	0.875	-1.269
H3	-1.137	-0.819	-1.266
H4	-1.137	-0.819	1.266
H5	0.213	1.685	0.000
C6	0.000	0.628	0.000
N7	2.134	-0.893	0.000
C8	1.200	-0.217	0.000
C9	-1.223	0.128	0.754
C10	-1.223	0.128	-0.754

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5379	3.1224	1.8234	2.5222	2.2247	4.5047	3.4446	1.0807	2.2354
H2	2.5379		1.8234	3.1224	2.5222	2.2247	4.5047	3.4446	2.2354	1.0807
H3	3.1224	1.8234		2.5315	3.1138	2.2333	3.5079	2.7249	2.2328	1.0798
H4	1.8234	3.1224	2.5315		3.1138	2.2333	3.5079	2.7249	1.0798	2.2328
H5	2.5222	2.5222	3.1138	3.1138		1.0786	3.2143	2.1426	2.2489	2.2489
C6	2.2247	2.2247	2.2333	2.2333	1.0786		2.6200	1.4674	1.5217	1.5217
N7	4.5047	4.5047	3.5079	3.5079	3.2143	2.6200		1.1526	3.5891	3.5891
C8	3.4446	3.4446	2.7249	2.7249	2.1426	1.4674	1.1526		2.5614	2.5614
C9	1.0807	2.2354	2.2328	1.0798	2.2489	1.5217	3.5891	2.5614		1.5087
C10	2.2354	1.0807	1.0798	2.2328	2.2489	1.5217	3.5891	2.5614	1.5087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.123	H1	C9	C6	116.465
H1	C9	C10	118.436	H2	C10	H3	115.123
H2	C10	C6	116.465	H2	C10	C9	118.436
H3	C10	C6	117.283	H3	C10	C9	118.269
H4	C9	C6	117.283	H4	C9	C10	118.269
H5	C6	C8	113.731	H5	C6	C9	118.749
H5	C6	C10	118.749	C6	C8	N7	179.266
C6	C9	C10	60.281	C6	C10	C9	60.281
C8	C6	C9	117.931	C8	C6	C10	117.931
C9	C6	C10	59.438

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	H	0.173
2	H	0.173
3	H	0.191
4	H	0.191
5	H	0.241
6	C	-0.004
7	N	0.335
8	C	-0.610
9	C	-0.346
10	C	-0.346

	x	y	z	Total
	-3.971	2.183	0.000	4.531
CHELPG
AIM
ESP

	x	y	z
x	7.637	-0.966	0.000
y	-0.966	5.432	0.000
z	0.000	0.000	5.424

<r²>	92.253
(<r²>)^1/2	9.605

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)