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	hartrees
Energy at 0K	-211.970423
Energy at 298.15K	-211.981770
HF Energy	-211.191265
Nuclear repulsion energy	188.253600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3517	3334	0.39
2	A'	3203	3036	32.66
3	A'	3167	3002	26.65
4	A'	3126	2964	37.35
5	A'	3104	2943	17.22
6	A'	3050	2891	77.70
7	A'	1660	1573	25.72
8	A'	1529	1449	4.26
9	A'	1504	1425	3.02
10	A'	1410	1337	22.25
11	A'	1310	1242	8.68
12	A'	1259	1193	0.76
13	A'	1184	1122	7.28
14	A'	1107	1049	7.00
15	A'	981	930	6.95
16	A'	922	874	15.55
17	A'	896	849	35.62
18	A'	842	798	73.98
19	A'	677	642	2.10
20	A'	420	398	3.88
21	A'	221	210	1.41
22	A"	3617	3429	1.17
23	A"	3170	3005	11.82
24	A"	3101	2939	67.25
25	A"	1496	1418	1.90
26	A"	1364	1293	0.00
27	A"	1307	1239	0.92
28	A"	1279	1213	0.30
29	A"	1236	1172	0.53
30	A"	1161	1101	0.93
31	A"	1047	992	0.07
32	A"	955	905	0.69
33	A"	938	889	1.89
34	A"	793	752	0.23
35	A"	403	382	14.50
36	A"	305	289	26.09

Atom	x (Å)	y (Å)	z (Å)
N1	-1.365	0.955	0.000
H2	-1.612	1.552	0.784
H3	-1.612	1.552	-0.784
C4	0.466	-0.258	-1.089
H5	-0.293	-0.357	-1.864
H6	1.462	-0.079	-1.489
C7	0.466	-0.258	1.089
H8	-0.293	-0.357	1.864
H9	1.462	-0.079	1.489
C10	0.085	0.761	0.000
H11	0.659	1.696	0.000
C12	0.466	-1.361	0.000
H13	1.343	-2.006	0.000
H14	-0.463	-1.922	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0161	1.0161	2.4521	2.5189	3.3585	2.4521	2.5189	3.3585	1.4636	2.1559	2.9527	4.0133	3.0151
H2	1.0161		1.5686	3.3328	3.5209	4.1571	2.7731	2.5594	3.5509	2.0307	2.4076	3.6634	4.6918	3.7421
H3	1.0161	1.5686		2.7731	2.5594	3.5509	3.3328	3.5209	4.1571	2.0307	2.4076	3.6634	4.6918	3.7421
C4	2.4521	3.3328	2.7731		1.0887	1.0875	2.1787	3.0506	2.7699	1.5394	2.2456	1.5501	2.2388	2.1952
H5	2.5189	3.5209	2.5594	1.0887		1.8151	3.0506	3.7273	3.7943	2.2058	2.9316	2.2488	2.9783	2.4395
H6	3.3585	4.1571	3.5509	1.0875	1.8151		2.7699	3.7943	2.9787	2.1951	2.4526	2.2024	2.4380	3.0524
C7	2.4521	2.7731	3.3328	2.1787	3.0506	2.7699		1.0887	1.0875	1.5394	2.2456	1.5501	2.2388	2.1952
H8	2.5189	2.5594	3.5209	3.0506	3.7273	3.7943	1.0887		1.8151	2.2058	2.9316	2.2488	2.9783	2.4395
H9	3.3585	3.5509	4.1571	2.7699	3.7943	2.9787	1.0875	1.8151		2.1951	2.4526	2.2024	2.4380	3.0524
C10	1.4636	2.0307	2.0307	1.5394	2.2058	2.1951	1.5394	2.2058	2.1951		1.0973	2.1556	3.0396	2.7382
H11	2.1559	2.4076	2.4076	2.2456	2.9316	2.4526	2.2456	2.9316	2.4526	1.0973		3.0631	3.7651	3.7881
C12	2.9527	3.6634	3.6634	1.5501	2.2488	2.2024	1.5501	2.2488	2.2024	2.1556	3.0631		1.0890	1.0857
H13	4.0133	4.6918	4.6918	2.2388	2.9783	2.4380	2.2388	2.9783	2.4380	3.0396	3.7651	1.0890		1.8086
H14	3.0151	3.7421	3.7421	2.1952	2.4395	3.0524	2.1952	2.4395	3.0524	2.7382	3.7881	1.0857	1.8086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.455	N1	C10	C7	109.455
N1	C10	H11	113.901	H2	N1	H3	101.048
H2	N1	C10	108.611	H3	N1	C10	108.611
C4	C10	C7	90.085	C4	C10	H11	115.771
C4	C12	C7	89.297	C4	C12	H13	114.938
C4	C12	H14	111.567	H5	C4	H6	113.041
H5	C4	C10	113.010	H5	C4	C12	115.799
H6	C4	C10	112.215	H6	C4	C12	112.038
C7	C10	H11	115.771	C7	C12	H13	114.938
C7	C12	H14	111.567	H8	C7	H9	113.041
H8	C7	C10	113.010	H8	C7	C12	115.799
H9	C7	C10	112.215	H9	C7	C12	112.038
C10	C4	C12	88.486	C10	C7	C12	88.486
H13	C12	H14	112.543

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: MP2/TZVP

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 C4H9N (Cyclobutylamine)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)