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	hartrees
Energy at 0K	-208.715315
Energy at 298.15K	-208.720899
Nuclear repulsion energy	147.428921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3458	3112	22.94
2	A'	3395	3055	2.44
3	A'	3351	3016	7.19
4	A'	2516	2264	56.77
5	A'	1651	1486	0.84
6	A'	1520	1368	0.78
7	A'	1314	1182	1.00
8	A'	1253	1128	3.92
9	A'	1223	1100	4.85
10	A'	1025	922	32.69
11	A'	889	800	2.39
12	A'	810	729	15.97
13	A'	587	528	4.07
14	A'	244	220	3.55
15	A"	3444	3099	0.09
16	A"	3340	3006	20.48
17	A"	1619	1457	7.87
18	A"	1321	1189	0.81
19	A"	1276	1148	2.24
20	A"	1233	1109	9.62
21	A"	1026	924	0.84
22	A"	902	811	18.67
23	A"	618	556	0.40
24	A"	243	219	2.35

Atom	x (Å)	y (Å)	z (Å)
H1	-1.784	1.014	1.272
H2	-1.784	1.014	-1.272
H3	-1.275	-0.713	-1.263
H4	-1.275	-0.713	1.263
H5	0.280	1.650	0.000
C6	0.000	0.616	0.000
N7	2.039	-0.999	0.000
C8	1.133	-0.284	0.000
C9	-1.269	0.229	0.754
C10	-1.269	0.229	-0.754

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5432	3.1092	1.8004	2.5064	2.2266	4.5034	3.4367	1.0716	2.2323
H2	2.5432		1.8004	3.1092	2.5064	2.2266	4.5034	3.4367	2.2323	1.0716
H3	3.1092	1.8004		2.5266	3.0983	2.2338	3.5585	2.7536	2.2265	1.0713
H4	1.8004	3.1092	2.5266		3.0983	2.2338	3.5585	2.7536	1.0713	2.2265
H5	2.5064	2.5064	3.0983	3.0983		1.0710	3.1790	2.1133	2.2332	2.2332
C6	2.2266	2.2266	2.2338	2.2338	1.0710		2.6007	1.4470	1.5263	1.5263
N7	4.5034	4.5034	3.5585	3.5585	3.1790	2.6007		1.1537	3.6084	3.6084
C8	3.4367	3.4367	2.7536	2.7536	2.1133	1.4470	1.1537		2.5699	2.5699
C9	1.0716	2.2323	2.2265	1.0713	2.2332	1.5263	3.6084	2.5699		1.5078
C10	2.2323	1.0716	1.0713	2.2265	2.2332	1.5263	3.6084	2.5699	1.5078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.311	H1	C9	C6	116.902
H1	C9	C10	118.886	H2	C10	H3	114.311
H2	C10	C6	116.902	H2	C10	C9	118.886
H3	C10	C6	117.550	H3	C10	C9	118.390
H4	C9	C6	117.550	H4	C9	C10	118.390
H5	C6	C8	113.287	H5	C6	C9	117.527
H5	C6	C10	117.527	C6	C8	N7	179.819
C6	C9	C10	60.398	C6	C10	C9	60.398
C8	C6	C9	119.588	C8	C6	C10	119.588
C9	C6	C10	59.204

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: HF/LANL2DZ

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	0.223
2	H	0.223
3	H	0.215
4	H	0.215
5	H	0.243
6	C	-0.176
7	N	-0.075
8	C	-0.111
9	C	-0.379
10	C	-0.379

	x	y	z	Total
	-3.879	2.422	0.000	4.573
CHELPG
AIM
ESP

	x	y	z
x	7.489	-1.250	0.000
y	-1.250	5.482	0.000
z	0.000	0.000	5.111

<r²>	115.649
(<r²>)^1/2	10.754

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)