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	hartrees
Energy at 0K	-35.450266
Energy at 298.15K	-35.455407
Nuclear repulsion energy	76.072647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3143	17.51
2	A'	3183	3073	2.71
3	A'	3154	3046	7.99
4	A'	2334	2254	45.65
5	A'	1504	1452	0.50
6	A'	1363	1316	0.40
7	A'	1206	1165	1.69
8	A'	1127	1088	1.92
9	A'	1049	1013	7.79
10	A'	946	914	28.65
11	A'	798	770	3.81
12	A'	747	721	6.54
13	A'	517	499	1.71
14	A'	208	200	2.57
15	A"	3239	3128	0.12
16	A"	3149	3041	18.28
17	A"	1456	1406	2.80
18	A"	1179	1138	0.77
19	A"	1092	1054	4.10
20	A"	1062	1026	8.48
21	A"	887	857	0.51
22	A"	808	780	11.59
23	A"	529	511	0.11
24	A"	207	200	1.44

Atom	x (Å)	y (Å)	z (Å)
H1	-1.833	0.869	1.282
H2	-1.833	0.869	-1.282
H3	-1.134	-0.842	-1.277
H4	-1.134	-0.842	1.277
H5	0.192	1.710	0.000
C6	0.000	0.634	0.000
N7	2.163	-0.885	0.000
C8	1.203	-0.198	0.000
C9	-1.236	0.115	0.761
C10	-1.236	0.115	-0.761

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5644	3.1568	1.8485	2.5404	2.2495	4.5490	3.4644	1.0937	2.2581
H2	2.5644		1.8485	3.1568	2.5404	2.2495	4.5490	3.4644	2.2581	1.0937
H3	3.1568	1.8485		2.5536	3.1466	2.2572	3.5361	2.7402	2.2539	1.0924
H4	1.8485	3.1568	2.5536		3.1466	2.2572	3.5361	2.7402	1.0924	2.2539
H5	2.5404	2.5404	3.1466	3.1466		1.0929	3.2586	2.1587	2.2718	2.2718
C6	2.2495	2.2495	2.2572	2.2572	1.0929		2.6434	1.4626	1.5414	1.5414
N7	4.5490	4.5490	3.5361	3.5361	3.2586	2.6434		1.1809	3.6244	3.6244
C8	3.4644	3.4644	2.7402	2.7402	2.1587	1.4626	1.1809		2.5744	2.5744
C9	1.0937	2.2581	2.2539	1.0924	2.2718	1.5414	3.6244	2.5744		1.5219
C10	2.2581	1.0937	1.0924	2.2539	2.2718	1.5414	3.6244	2.5744	1.5219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.463	H1	C9	C6	116.194
H1	C9	C10	118.463	H2	C10	H3	115.463
H2	C10	C6	116.194	H2	C10	C9	118.463
H3	C10	C6	116.936	H3	C10	C9	118.177
H4	C9	C6	116.936	H4	C9	C10	118.177
H5	C6	C8	114.512	H5	C6	C9	118.176
H5	C6	C10	118.176	C6	C8	N7	179.032
C6	C9	C10	60.416	C6	C10	C9	60.416
C8	C6	C9	117.941	C8	C6	C10	117.941
C9	C6	C10	59.168

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: B3LYP/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	0.206
2	H	0.206
3	H	0.227
4	H	0.227
5	H	0.271
6	C	-0.045
7	N	0.375
8	C	-0.631
9	C	-0.418
10	C	-0.418

	x	y	z	Total
	-3.888	2.068	0.000	4.403
CHELPG
AIM
ESP

	x	y	z
x	8.365	-1.124	0.000
y	-1.124	5.675	0.000
z	0.000	0.000	5.639

<r²>	93.185
(<r²>)^1/2	9.653

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)