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	hartrees
Energy at 0K	-211.151821
Energy at 298.15K	-211.163232
Nuclear repulsion energy	187.459687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3714	3382	0.31
2	A'	3267	2975	86.99
3	A'	3235	2946	22.91
4	A'	3211	2924	43.01
5	A'	3191	2906	50.33
6	A'	3135	2855	84.28
7	A'	1775	1617	30.07
8	A'	1617	1473	4.30
9	A'	1581	1439	2.17
10	A'	1501	1367	30.13
11	A'	1406	1280	2.31
12	A'	1333	1214	2.32
13	A'	1255	1142	12.24
14	A'	1157	1054	8.83
15	A'	1019	928	4.84
16	A'	948	863	21.09
17	A'	941	856	77.43
18	A'	869	791	35.43
19	A'	721	657	0.74
20	A'	428	390	5.10
21	A'	158	144	1.14
22	A"	3795	3456	1.59
23	A"	3241	2951	18.12
24	A"	3187	2903	97.09
25	A"	1578	1437	2.21
26	A"	1458	1328	0.43
27	A"	1375	1252	0.43
28	A"	1361	1239	0.18
29	A"	1314	1197	0.51
30	A"	1261	1148	0.16
31	A"	1102	1004	0.15
32	A"	1003	913	0.20
33	A"	981	894	2.44
34	A"	816	743	0.21
35	A"	417	380	9.29
36	A"	293	267	28.46

Atom	x (Å)	y (Å)	z (Å)
N1	-1.403	0.931	0.000
H2	-1.707	1.443	0.807
H3	-1.707	1.443	-0.807
C4	0.492	-0.242	-1.079
H5	-0.173	-0.367	-1.932
H6	1.497	-0.023	-1.440
C7	0.492	-0.242	1.079
H8	-0.173	-0.367	1.932
H9	1.497	-0.023	1.440
C10	0.043	0.771	0.000
H11	0.576	1.726	0.000
C12	0.492	-1.351	0.000
H13	1.332	-2.044	0.000
H14	-0.435	-1.919	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0033	1.0033	2.4764	2.6330	3.3757	2.4764	2.6330	3.3757	1.4548	2.1329	2.9665	4.0412	3.0094
H2	1.0033		1.6145	3.3516	3.6244	4.1789	2.7838	2.6263	3.5797	2.0407	2.4374	3.6465	4.6955	3.6842
H3	1.0033	1.6145		2.7838	2.6263	3.5797	3.3516	3.6244	4.1789	2.0407	2.4374	3.6465	4.6955	3.6842
C4	2.4764	3.3516	2.7838		1.0892	1.0900	2.1579	3.0863	2.7205	1.5464	2.2454	1.5475	2.2620	2.1990
H5	2.6330	3.6244	2.6263	1.0892		1.7750	3.0863	3.8644	3.7785	2.2527	2.9452	2.2679	2.9680	2.4917
H6	3.3757	4.1789	3.5797	1.0900	1.7750		2.7205	3.7785	2.8793	2.1949	2.4450	2.2017	2.4868	3.0661
C7	2.4764	2.7838	3.3516	2.1579	3.0863	2.7205		1.0892	1.0900	1.5464	2.2454	1.5475	2.2620	2.1990
H8	2.6330	2.6263	3.6244	3.0863	3.8644	3.7785	1.0892		1.7750	2.2527	2.9452	2.2679	2.9680	2.4917
H9	3.3757	3.5797	4.1789	2.7205	3.7785	2.8793	1.0900	1.7750		2.1949	2.4450	2.2017	2.4868	3.0661
C10	1.4548	2.0407	2.0407	1.5464	2.2527	2.1949	1.5464	2.2527	2.1949		1.0938	2.1688	3.0957	2.7313
H11	2.1329	2.4374	2.4374	2.2454	2.9452	2.4450	2.2454	2.9452	2.4450	1.0938		3.0778	3.8444	3.7819
C12	2.9665	3.6465	3.6465	1.5475	2.2679	2.2017	1.5475	2.2679	2.2017	2.1688	3.0778		1.0888	1.0872
H13	4.0412	4.6955	4.6955	2.2620	2.9680	2.4868	2.2620	2.9680	2.4868	3.0957	3.8444	1.0888		1.7718
H14	3.0094	3.6842	3.6842	2.1990	2.4917	3.0661	2.1990	2.4917	3.0661	2.7313	3.7819	1.0872	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	111.166	N1	C10	C7	111.166
N1	C10	H11	112.860	H2	N1	H3	107.138
H2	N1	C10	110.895	H3	N1	C10	110.895
C4	C10	C7	88.489	C4	C10	H11	115.458
C4	C12	C7	88.411	C4	C12	H13	117.128
C4	C12	H14	111.979	H5	C4	H6	109.084
H5	C4	C10	116.391	H5	C4	C12	117.619
H6	C4	C10	111.554	H6	C4	C12	112.019
C7	C10	H11	115.458	C7	C12	H13	117.128
C7	C12	H14	111.979	H8	C7	H9	109.084
H8	C7	C10	116.391	H8	C7	C12	117.619
H9	C7	C10	111.554	H9	C7	C12	112.019
C10	C4	C12	89.016	C10	C7	C12	89.016
H13	C12	H14	109.026

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/aug-cc-pVDZ

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	N	-0.428
2	H	-0.034
3	H	-0.034
4	C	0.593
5	H	-0.220
6	H	-0.221
7	C	0.593
8	H	-0.220
9	H	-0.221
10	C	0.421
11	H	-0.228
12	C	0.468
13	H	-0.256
14	H	-0.214

	x	y	z	Total
	0.423	1.180	0.000	1.253
CHELPG
AIM
ESP

<r²>	114.343
(<r²>)^1/2	10.693

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)