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	hartrees
Energy at 0K	-208.803491
Energy at 298.15K	-208.809043
Nuclear repulsion energy	148.672432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3406	3074	11.24
2	A'	3351	3025	1.26
3	A'	3313	2990	6.46
4	A'	2610	2355	40.93
5	A'	1653	1492	0.29
6	A'	1510	1363	1.17
7	A'	1310	1182	1.95
8	A'	1236	1116	1.21
9	A'	1199	1082	2.63
10	A'	1031	930	28.11
11	A'	874	789	3.16
12	A'	811	732	8.44
13	A'	581	524	0.75
14	A'	235	212	5.53
15	A"	3392	3062	0.25
16	A"	3306	2984	15.23
17	A"	1601	1445	1.93
18	A"	1311	1184	0.58
19	A"	1238	1117	0.00
20	A"	1216	1098	6.77
21	A"	1018	919	1.67
22	A"	898	811	10.41
23	A"	609	550	2.05
24	A"	239	216	3.87

Atom	x (Å)	y (Å)	z (Å)
H1	-1.766	1.028	1.260
H2	-1.766	1.028	-1.260
H3	-1.256	-0.709	-1.252
H4	-1.256	-0.709	1.252
H5	0.288	1.655	0.000
C6	0.000	0.619	0.000
N7	2.004	-1.014	0.000
C8	1.126	-0.294	0.000
C9	-1.253	0.238	0.744
C10	-1.253	0.238	-0.744

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5208	3.0969	1.8108	2.4891	2.2075	4.4691	3.4202	1.0749	2.2148
H2	2.5208		1.8108	3.0969	2.4891	2.2075	4.4691	3.4202	2.2148	1.0749
H3	3.0969	1.8108		2.5038	3.0882	2.2157	3.5055	2.7228	2.2089	1.0745
H4	1.8108	3.0969	2.5038		3.0882	2.2157	3.5055	2.7228	1.0745	2.2089
H5	2.4891	2.4891	3.0882	3.0882		1.0745	3.1734	2.1210	2.2211	2.2211
C6	2.2075	2.2075	2.2157	2.2157	1.0745		2.5857	1.4497	1.5060	1.5060
N7	4.4691	4.4691	3.5055	3.5055	3.1734	2.5857		1.1360	3.5676	3.5676
C8	3.4202	3.4202	2.7228	2.7228	2.1210	1.4497	1.1360		2.5483	2.5483
C9	1.0749	2.2148	2.2089	1.0745	2.2211	1.5060	3.5676	2.5483		1.4877
C10	2.2148	1.0749	1.0745	2.2089	2.2211	1.5060	3.5676	2.5483	1.4877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.807	H1	C9	C6	116.603
H1	C9	C10	118.725	H2	C10	H3	114.807
H2	C10	C6	116.603	H2	C10	C9	118.725
H3	C10	C6	117.351	H3	C10	C9	118.220
H4	C9	C6	117.351	H4	C9	C10	118.220
H5	C6	C8	113.511	H5	C6	C9	117.827
H5	C6	C10	117.827	C6	C8	N7	179.656
C6	C9	C10	60.402	C6	C10	C9	60.402
C8	C6	C9	119.108	C8	C6	C10	119.108
C9	C6	C10	59.197

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: HF/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	CHELPG
1	H	0.156	0.117
2	H	0.156	0.117
3	H	0.167	0.127
4	H	0.167	0.127
5	H	0.192	0.129
6	C	-0.196	-0.140
7	N	-0.460	-0.517
8	C	0.307	0.426
9	C	-0.244	-0.193
10	C	-0.244	-0.193

	x	y	z	Total
	-3.726	2.399	0.000	4.431
CHELPG
AIM
ESP

	x	y	z
x	7.143	-1.263	0.000
y	-1.263	5.601	0.000
z	0.000	0.000	5.008

<r²>	113.344
(<r²>)^1/2	10.646

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

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

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)