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	hartrees
Energy at 0K	-207.449505
Energy at 298.15K	-207.454581
Nuclear repulsion energy	145.289512

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3584	3165	5.83
2	A'	3464	3058	6.32
3	A'	3432	3030	8.46
4	A'	2418	2135	2.75
5	A'	1627	1437	0.42
6	A'	1473	1301	0.80
7	A'	1311	1157	1.81
8	A'	1220	1077	1.91
9	A'	1196	1056	0.51
10	A'	1057	933	10.57
11	A'	847	748	0.53
12	A'	814	718	0.78
13	A'	535	472	0.14
14	A'	215	190	2.04
15	A"	3579	3160	0.06
16	A"	3424	3023	9.14
17	A"	1583	1398	2.28
18	A"	1282	1132	0.21
19	A"	1212	1070	0.00
20	A"	1205	1064	5.56
21	A"	1051	928	0.55
22	A"	893	789	3.39
23	A"	554	489	0.38
24	A"	215	190	1.64

Atom	x (Å)	y (Å)	z (Å)
H1	0.334	2.060	1.281
H2	0.334	2.060	-1.281
H3	-1.137	0.951	-1.270
H4	-1.137	0.951	1.270
H5	1.673	0.349	0.000
C6	0.582	0.228	0.000
N7	-0.231	-2.305	0.000
C8	0.137	-1.169	0.000
C9	-0.231	1.284	0.757
C10	-0.231	1.284	-0.757

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5617	3.1464	1.8425	2.5223	2.2489	4.5845	3.4798	1.0936	2.2521
H2	2.5617		1.8425	3.1464	2.5223	2.2489	4.5845	3.4798	2.2521	1.0936
H3	3.1464	1.8425		2.5394	3.1418	2.2560	3.6103	2.7803	2.2445	1.0935
H4	1.8425	3.1464	2.5394		3.1418	2.2560	3.6103	2.7803	1.0935	2.2445
H5	2.5223	2.5223	3.1418	3.1418		1.0976	3.2668	2.1600	2.2521	2.2521
C6	2.2489	2.2489	2.2560	2.2560	1.0976		2.6610	1.4670	1.5324	1.5324
N7	4.5845	4.5845	3.6103	3.6103	3.2668	2.6610		1.1941	3.6684	3.6684
C8	3.4798	3.4798	2.7803	2.7803	2.1600	1.4670	1.1941		2.5938	2.5938
C9	1.0936	2.2521	2.2445	1.0935	2.2521	1.5324	3.6684	2.5938		1.5130
C10	2.2521	1.0936	1.0935	2.2445	2.2521	1.5324	3.6684	2.5938	1.5130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	114.793	H1	C9	C6	116.845
H1	C9	C10	118.651	H2	C10	H3	114.793
H2	C10	C6	116.845	H2	C10	C9	118.651
H3	C10	C6	117.467	H3	C10	C9	117.988
H4	C9	C6	117.467	H4	C9	C10	117.988
H5	C6	C8	113.985	H5	C6	C9	116.845
H5	C6	C10	116.845	C6	C8	N7	179.717
C6	C9	C10	60.417	C6	C10	C9	60.417
C8	C6	C9	119.700	C8	C6	C10	119.700
C9	C6	C10	59.166

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: B1B95/STO-3G

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	0.100
2	H	0.100
3	H	0.104
4	H	0.104
5	H	0.115
6	C	-0.093
7	N	-0.187
8	C	0.066
9	C	-0.155
10	C	-0.155

	x	y	z	Total
	0.650	3.208	0.000	3.273
CHELPG
AIM
ESP

	x	y	z
x	2.722	0.396	0.000
y	0.396	5.051	0.000
z	0.000	0.000	2.598

<r²>	116.321
(<r²>)^1/2	10.785

All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)