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	hartrees
Energy at 0K	-34.817214
Energy at 298.15K	-34.822373
HF Energy	-34.379631
Nuclear repulsion energy	74.504508

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3171	31.59
2	A'	3195	3088	5.36
3	A'	3161	3054	8.06
4	A'	2029	1961	0.97
5	A'	1528	1477	0.82
6	A'	1385	1338	0.30
7	A'	1212	1171	1.35
8	A'	1151	1112	1.63
9	A'	1138	1099	11.33
10	A'	934	903	24.96
11	A'	830	802	1.23
12	A'	741	716	7.49
13	A'	494	477	2.33
14	A'	197	190	2.27
15	A"	3266	3156	0.23
16	A"	3153	3047	20.45
17	A"	1500	1450	3.73
18	A"	1220	1178	1.10
19	A"	1152	1113	3.29
20	A"	1138	1100	10.48
21	A"	927	895	0.07
22	A"	831	803	16.97
23	A"	502	485	0.03
24	A"	204	197	1.19

Atom	x (Å)	y (Å)	z (Å)
H1	-1.831	1.063	1.299
H2	-1.831	1.063	-1.299
H3	-1.308	-0.721	-1.294
H4	-1.308	-0.721	1.294
H5	0.282	1.708	0.000
C6	0.000	0.645	0.000
N7	2.099	-1.076	0.000
C8	1.157	-0.288	0.000
C9	-1.303	0.250	0.779
C10	-1.303	0.250	-0.779

	H1	H2	H3	H4	H5	C6	N7	C8	C9	C10
H1		2.5977	3.1905	1.8586	2.5627	2.2834	4.6594	3.5269	1.0998	2.2926
H2	2.5977		1.8586	3.1905	2.5627	2.2834	4.6594	3.5269	2.2926	1.0998
H3	3.1905	1.8586		2.5889	3.1788	2.2920	3.6626	2.8180	2.2893	1.0991
H4	1.8586	3.1905	2.5889		3.1788	2.2920	3.6626	2.8180	1.0991	2.2893
H5	2.5627	2.5627	3.1788	3.1788		1.0999	3.3253	2.1795	2.2905	2.2905
C6	2.2834	2.2834	2.2920	2.2920	1.0999		2.7149	1.4862	1.5690	1.5690
N7	4.6594	4.6594	3.6626	3.6626	3.3253	2.7149		1.2287	3.7342	3.7342
C8	3.5269	3.5269	2.8180	2.8180	2.1795	1.4862	1.2287		2.6361	2.6361
C9	1.0998	2.2926	2.2893	1.0991	2.2905	1.5690	3.7342	2.6361		1.5577
C10	2.2926	1.0998	1.0991	2.2893	2.2905	1.5690	3.7342	2.6361	1.5577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C9	H4	115.391	H1	C9	C6	116.550
H1	C9	C10	118.216	H2	C10	H3	115.391
H2	C10	C6	116.550	H2	C10	C9	118.216
H3	C10	C6	117.329	H3	C10	C9	117.978
H4	C9	C6	117.329	H4	C9	C10	117.978
H5	C6	C8	114.034	H5	C6	C9	117.152
H5	C6	C10	117.152	C6	C8	N7	178.956
C6	C9	C10	60.238	C6	C10	C9	60.238
C8	C6	C9	119.246	C8	C6	C10	119.246
C9	C6	C10	59.525

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)

using model chemistry: MP2/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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All results from a given calculation for C4H5N (Cyclopropanecarbonitrile)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₄H₅N (Cyclopropanecarbonitrile)