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	hartrees
Energy at 0K	-247.016649
Energy at 298.15K	-247.024681
HF Energy	-246.445404
Nuclear repulsion energy	208.183676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3209	3063	27.44
2	A'	3189	3044	5.67
3	A'	3134	2991	3.65
4	A'	3129	2987	12.10
5	A'	3127	2985	7.30
6	A'	2139	2042	1.52
7	A'	1592	1519	1.00
8	A'	1578	1506	5.23
9	A'	1396	1332	0.71
10	A'	1324	1264	3.55
11	A'	1271	1214	0.22
12	A'	1164	1111	1.81
13	A'	1067	1018	0.06
14	A'	946	903	0.30
15	A'	915	874	2.47
16	A'	752	718	1.71
17	A'	600	573	0.75
18	A'	540	515	1.47
19	A'	296	283	0.65
20	A'	143	136	2.29
21	A"	3199	3053	11.66
22	A"	3128	2986	26.32
23	A"	1569	1497	2.67
24	A"	1331	1271	3.33
25	A"	1308	1249	0.48
26	A"	1296	1237	0.35
27	A"	1236	1180	1.36
28	A"	1061	1013	0.29
29	A"	940	897	1.15
30	A"	901	860	1.46
31	A"	819	782	1.27
32	A"	563	537	0.13
33	A"	198	189	2.76

Atom	x (Å)	y (Å)	z (Å)
N1	1.666	2.129	0.000
C2	0.749	1.371	0.000
C3	-0.350	0.415	0.000
C4	-0.911	-1.712	0.000
C5	-0.350	-0.729	1.101
C6	-0.350	-0.729	-1.101
H7	-1.318	0.925	0.000
H8	-2.005	-1.710	0.000
H9	-0.532	-2.734	0.000
H10	0.679	-0.988	1.366
H11	-0.948	-0.553	1.996
H12	0.679	-0.988	-1.366
H13	-0.948	-0.553	-1.996

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13
N1		1.1892	2.6459	4.6253	3.6661	3.6661	3.2179	5.3113	5.3370	3.5436	4.2440	3.5436	4.2440
C2	1.1892		1.4570	3.5019	2.6133	2.6133	2.1152	4.1326	4.3010	2.7274	3.2511	2.7274	3.2511
C3	2.6459	1.4570		2.1995	1.5874	1.5874	1.0948	2.6932	3.1545	2.2120	2.2979	2.2120	2.2979
C4	4.6253	3.5019	2.1995		1.5797	1.5797	2.6682	1.0933	1.0906	2.2177	2.3084	2.2177	2.3084
C5	3.6661	2.6133	1.5874	1.5797		2.2027	2.2104	2.2170	2.2957	1.0933	1.0907	2.6858	3.1598
C6	3.6661	2.6133	1.5874	1.5797	2.2027		2.2104	2.2170	2.2957	2.6858	3.1598	1.0933	1.0907
H7	3.2179	2.1152	1.0948	2.6682	2.2104	2.2104		2.7230	3.7430	3.0848	2.5116	3.0848	2.5116
H8	5.3113	4.1326	2.6932	1.0933	2.2170	2.2170	2.7230		1.7938	3.0965	2.5377	3.0965	2.5377
H9	5.3370	4.3010	3.1545	1.0906	2.2957	2.2957	3.7430	1.7938		2.5263	2.9859	2.5263	2.9859
H10	3.5436	2.7274	2.2120	2.2177	1.0933	2.6858	3.0848	3.0965	2.5263		1.7980	2.7323	3.7605
H11	4.2440	3.2511	2.2979	2.3084	1.0907	3.1598	2.5116	2.5377	2.9859	1.7980		3.7605	3.9926
H12	3.5436	2.7274	2.2120	2.2177	2.6858	1.0933	3.0848	3.0965	2.5263	2.7323	3.7605		1.7980
H13	4.2440	3.2511	2.2979	2.3084	3.1598	1.0907	2.5116	2.5377	2.9859	3.7605	3.9926	1.7980

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.543	C2	C3	C5	118.213
C2	C3	C6	118.213	C2	C3	H7	111.183
C3	C5	C4	87.971	C3	C5	H10	109.829
C3	C5	H11	116.973	C3	C6	C4	87.971
C3	C6	H12	109.829	C3	C6	H13	116.973
C4	C5	H10	110.818	C4	C5	H11	118.492
C4	C6	H12	110.818	C4	C6	H13	118.492
C5	C3	C6	87.861	C5	C3	H7	109.618
C5	C4	C6	88.405	C5	C4	H8	110.761
C5	C4	H9	117.393	C6	C3	H7	109.618
C6	C4	H8	110.761	C6	C4	H9	117.393
H8	C4	H9	110.439	H10	C5	H11	110.820
H12	C6	H13	110.820

All results from a given calculation for C₅H₇N (Cyclobutanecarbonitrile)

using model chemistry: MP2/3-21G

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 C5H7N (Cyclobutanecarbonitrile)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₅H₇N (Cyclobutanecarbonitrile)