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	hartrees
Energy at 0K	-209.873440
Energy at 298.15K	-209.878589
Nuclear repulsion energy	146.677941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3153	3.73
2	A'	3114	3071	0.68
3	A'	3099	3057	2.86
4	A'	2273	2241	28.87
5	A'	1465	1445	0.73
6	A'	1345	1327	0.26
7	A'	1197	1181	0.97
8	A'	1108	1092	0.47
9	A'	1031	1017	6.38
10	A'	958	945	23.02
11	A'	797	786	1.77
12	A'	743	733	2.40
13	A'	517	510	0.75
14	A'	207	204	3.27
15	A"	3184	3140	0.21
16	A"	3097	3054	9.04
17	A"	1430	1411	3.33
18	A"	1166	1150	0.61
19	A"	1070	1056	2.92
20	A"	1043	1028	6.94
21	A"	878	866	0.16
22	A"	807	796	8.03
23	A"	536	529	0.52
24	A"	209	206	2.13

Atom	x (Å)	y (Å)	z (Å)
H1	0.341	2.037	1.279
H2	0.341	2.037	-1.279
H3	-1.130	0.929	-1.267
H4	-1.130	0.929	1.267
H5	1.668	0.334	0.000
C6	0.580	0.216	0.000
N7	-0.231	-2.271	0.000
C8	0.136	-1.154	0.000
C9	-0.231	1.271	0.751
C10	-0.231	1.271	-0.751

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5581	3.1429	1.8422	2.5096	2.2383	4.5302	3.4441	1.0926	2.2438
H2	2.5581		1.8422	3.1429	2.5096	2.2383	4.5302	3.4441	2.2438	1.0926
H3	3.1429	1.8422		2.5347	3.1291	2.2450	3.5571	2.7473	2.2357	1.0921
H4	1.8422	3.1429	2.5347		3.1291	2.2450	3.5571	2.7473	1.0921	2.2357
H5	2.5096	2.5096	3.1291	3.1291		1.0944	3.2236	2.1357	2.2467	2.2467
C6	2.2383	2.2383	2.2450	2.2450	1.0944		2.6157	1.4401	1.5277	1.5277
N7	4.5302	4.5302	3.5571	3.5571	3.2236	2.6157		1.1756	3.6204	3.6204
C8	3.4441	3.4441	2.7473	2.7473	2.1357	1.4401	1.1756		2.5647	2.5647
C9	1.0926	2.2438	2.2357	1.0921	2.2467	1.5277	3.6204	2.5647		1.5014
C10	2.2438	1.0926	1.0921	2.2357	2.2467	1.5277	3.6204	2.5647	1.5014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.964	H1	C9	C6	116.363
H1	C9	C10	118.918	H2	C10	H3	114.964
H2	C10	C6	116.363	H2	C10	C9	118.918
H3	C10	C6	116.963	H3	C10	C9	118.231
H4	C9	C6	116.963	H4	C9	C10	118.231
H5	C6	C8	114.153	H5	C6	C9	116.954
H5	C6	C10	116.954	C6	C8	N7	179.776
C6	C9	C10	60.568	C6	C10	C9	60.568
C8	C6	C9	119.547	C8	C6	C10	119.547
C9	C6	C10	58.864

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: PBEPBE/6-31G**

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	0.147
2	H	0.147
3	H	0.158
4	H	0.158
5	H	0.169
6	C	-0.184
7	N	-0.470
8	C	0.347
9	C	-0.236
10	C	-0.236

	x	y	z	Total
	0.824	4.084	0.000	4.167
CHELPG
AIM
ESP

	x	y	z
x	5.221	0.517	0.000
y	0.517	8.760	0.000
z	0.000	0.000	5.242

<r²>	115.221
(<r²>)^1/2	10.734

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)