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	hartrees
Energy at 0K	-248.724893
Energy at 298.15K	-248.732886
Nuclear repulsion energy	210.830367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3026	43.03
2	A'	3209	3009	9.32
3	A'	3161	2964	5.90
4	A'	3156	2959	1.50
5	A'	3150	2953	25.98
6	A'	2378	2229	1.64
7	A'	1578	1480	0.68
8	A'	1551	1454	3.24
9	A'	1415	1327	3.74
10	A'	1332	1249	0.55
11	A'	1280	1200	0.14
12	A'	1171	1098	1.20
13	A'	1114	1045	0.35
14	A'	994	932	0.51
15	A'	940	881	2.34
16	A'	775	727	1.13
17	A'	599	562	0.38
18	A'	529	496	0.70
19	A'	280	262	1.59
20	A'	142	133	3.43
21	A"	3220	3019	16.07
22	A"	3154	2958	38.43
23	A"	1546	1449	0.59
24	A"	1333	1250	1.21
25	A"	1305	1224	0.18
26	A"	1294	1213	0.07
27	A"	1248	1171	0.17
28	A"	1076	1009	0.02
29	A"	984	923	0.37
30	A"	970	910	1.70
31	A"	817	766	0.88
32	A"	528	495	0.02
33	A"	178	167	4.93

Atom	x (Å)	y (Å)	z (Å)
N1	1.638	2.119	0.000
C2	0.749	1.366	0.000
C3	-0.346	0.392	0.000
C4	-0.898	-1.687	0.000
C5	-0.346	-0.725	1.078
C6	-0.346	-0.725	-1.078
H7	-1.298	0.923	0.000
H8	-1.989	-1.700	0.000
H9	-0.533	-2.711	0.000
H10	0.673	-0.986	1.362
H11	-0.935	-0.550	1.976
H12	0.673	-0.986	-1.362
H13	-0.935	-0.550	-1.976

	N1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13
N1		1.1650	2.6304	4.5735	3.6318	3.6318	3.1700	5.2663	5.2960	3.5255	4.2008	3.5255	4.2008
C2	1.1650		1.4657	3.4689	2.5954	2.5954	2.0943	4.1101	4.2743	2.7192	3.2266	2.7192	3.2266
C3	2.6304	1.4657		2.1504	1.5525	1.5525	1.0907	2.6593	3.1085	2.1889	2.2667	2.1889	2.2667
C4	4.5735	3.4689	2.1504		1.5465	1.5465	2.6404	1.0902	1.0880	2.1944	2.2799	2.1944	2.2799
C5	3.6318	2.5954	1.5525	1.5465		2.1563	2.1882	2.1932	2.2673	1.0895	1.0881	2.6569	3.1154
C6	3.6318	2.5954	1.5525	1.5465	2.1563		2.1882	2.1932	2.2673	2.6569	3.1154	1.0895	1.0881
H7	3.1700	2.0943	1.0907	2.6404	2.1882	2.1882		2.7124	3.7144	3.0639	2.4914	3.0639	2.4914
H8	5.2663	4.1101	2.6593	1.0902	2.1932	2.1932	2.7124		1.7727	3.0739	2.5173	3.0739	2.5173
H9	5.2960	4.2743	3.1085	1.0880	2.2673	2.2673	3.7144	1.7727		2.5070	2.9560	2.5070	2.9560
H10	3.5255	2.7192	2.1889	2.1944	1.0895	2.6569	3.0639	3.0739	2.5070		1.7760	2.7233	3.7305
H11	4.2008	3.2266	2.2667	2.2799	1.0881	3.1154	2.4914	2.5173	2.9560	1.7760		3.7305	3.9520
H12	3.5255	2.7192	2.1889	2.1944	2.6569	1.0895	3.0639	3.0739	2.5070	2.7233	3.7305		1.7760
H13	4.2008	3.2266	2.2667	2.2799	3.1154	1.0881	2.4914	2.5173	2.9560	3.7305	3.9520	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.596	C2	C3	C5	118.587
C2	C3	C6	118.587	C2	C3	H7	109.135
C3	C5	C4	87.879	C3	C5	H10	110.666
C3	C5	H11	117.187	C3	C6	C4	87.879
C3	C6	H12	110.666	C3	C6	H13	117.187
C4	C5	H10	111.529	C4	C5	H11	118.824
C4	C6	H12	111.529	C4	C6	H13	118.824
C5	C3	C6	87.967	C5	C3	H7	110.539
C5	C4	C6	88.403	C5	C4	H8	111.396
C5	C4	H9	117.727	C6	C3	H7	110.539
C6	C4	H8	111.396	C6	C4	H9	117.727
H8	C4	H9	108.946	H10	C5	H11	109.288
H12	C6	H13	109.288

All results from a given calculation for C₅H₇N (Cyclobutanecarbonitrile)

using model chemistry: CCD/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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All results from a given calculation for C5H7N (Cyclobutanecarbonitrile)

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

States and conformations

All results from a given calculation for C₅H₇N (Cyclobutanecarbonitrile)