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	hartrees
Energy at 0K	-208.817167
Energy at 298.15K	-208.822721
Nuclear repulsion energy	148.868451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3071	9.55
2	A'	3338	3022	1.24
3	A'	3298	2986	6.07
4	A'	2597	2352	39.09
5	A'	1638	1483	0.38
6	A'	1498	1357	1.36
7	A'	1300	1178	2.08
8	A'	1228	1112	1.15
9	A'	1190	1078	2.73
10	A'	1022	926	24.43
11	A'	865	784	2.89
12	A'	803	727	7.55
13	A'	583	528	0.58
14	A'	236	213	6.04
15	A"	3377	3058	0.23
16	A"	3291	2980	14.08
17	A"	1592	1441	1.76
18	A"	1303	1180	0.44
19	A"	1232	1115	0.12
20	A"	1210	1096	5.08
21	A"	1012	916	1.42
22	A"	892	808	9.40
23	A"	613	555	2.42
24	A"	240	217	4.20

Atom	x (Å)	y (Å)	z (Å)
H1	-1.766	1.023	1.260
H2	-1.766	1.023	-1.260
H3	-1.253	-0.713	-1.252
H4	-1.253	-0.713	1.252
H5	0.285	1.653	0.000
C6	0.000	0.618	0.000
N7	2.002	-1.006	0.000
C8	1.126	-0.291	0.000
C9	-1.251	0.234	0.744
C10	-1.251	0.234	-0.744

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5208	3.0961	1.8100	2.4885	2.2074	4.4619	3.4178	1.0743	2.2150
H2	2.5208		1.8100	3.0961	2.4885	2.2074	4.4619	3.4178	2.2150	1.0743
H3	3.0961	1.8100		2.5032	3.0867	2.2151	3.4999	2.7208	2.2089	1.0740
H4	1.8100	3.0961	2.5032		3.0867	2.2151	3.4999	2.7208	1.0740	2.2089
H5	2.4885	2.4885	3.0867	3.0867		1.0736	3.1657	2.1188	2.2198	2.2198
C6	2.2074	2.2074	2.2151	2.2151	1.0736		2.5781	1.4473	1.5058	1.5058
N7	4.4619	4.4619	3.4999	3.4999	3.1657	2.5781		1.1309	3.5607	3.5607
C8	3.4178	3.4178	2.7208	2.7208	2.1188	1.4473	1.1309		2.5459	2.5459
C9	1.0743	2.2150	2.2089	1.0740	2.2198	1.5058	3.5607	2.5459		1.4885
C10	2.2150	1.0743	1.0740	2.2089	2.2198	1.5058	3.5607	2.5459	1.4885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.813	H1	C9	C6	116.649
H1	C9	C10	118.715	H2	C10	H3	114.813
H2	C10	C6	116.649	H2	C10	C9	118.715
H3	C10	C6	117.352	H3	C10	C9	118.192
H4	C9	C6	117.352	H4	C9	C10	118.192
H5	C6	C8	113.554	H5	C6	C9	117.792
H5	C6	C10	117.792	C6	C8	N7	179.741
C6	C9	C10	60.380	C6	C10	C9	60.380
C8	C6	C9	119.094	C8	C6	C10	119.094
C9	C6	C10	59.241

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: HF/6-31G(2df,p)

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	0.166
2	H	0.166
3	H	0.178
4	H	0.178
5	H	0.183
6	C	-0.220
7	N	-0.237
8	C	0.170
9	C	-0.292
10	C	-0.292

	x	y	z	Total
	-3.698	2.382	0.000	4.399
CHELPG
AIM
ESP

	x	y	z
x	7.343	-1.152	0.000
y	-1.152	5.734	0.000
z	0.000	0.000	5.299

<r²>	112.973
(<r²>)^1/2	10.629

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)