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	hartrees
Energy at 0K	-212.455377
Energy at 298.15K	-212.466521
Nuclear repulsion energy	187.994755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3484	3349	1.92
2	A'	3159	3036	42.36
3	A'	3126	3004	26.12
4	A'	3090	2970	32.84
5	A'	3070	2951	17.37
6	A'	2975	2859	100.50
7	A'	1633	1570	15.93
8	A'	1472	1414	5.56
9	A'	1437	1381	2.88
10	A'	1374	1321	22.72
11	A'	1283	1234	3.42
12	A'	1232	1184	1.61
13	A'	1159	1114	8.87
14	A'	1095	1052	6.68
15	A'	985	947	8.17
16	A'	900	865	4.68
17	A'	885	850	76.94
18	A'	831	798	33.80
19	A'	656	631	0.97
20	A'	394	379	4.25
21	A'	178	171	1.26
22	A"	3564	3425	0.01
23	A"	3130	3009	7.77
24	A"	3066	2947	73.56
25	A"	1429	1373	2.43
26	A"	1344	1291	0.08
27	A"	1267	1218	0.31
28	A"	1244	1196	0.17
29	A"	1219	1172	0.23
30	A"	1151	1106	0.99
31	A"	1026	986	0.25
32	A"	962	925	0.63
33	A"	933	897	1.29
34	A"	765	735	0.76
35	A"	383	368	10.86
36	A"	281	270	26.08

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.783	0.000
H2	-1.790	1.303	0.811
H3	-1.790	1.303	-0.811
C4	0.526	-0.196	-1.070
H5	-0.101	-0.335	-1.962
H6	1.545	0.067	-1.387
C7	0.526	-0.196	1.070
H8	-0.101	-0.335	1.962
H9	1.545	0.067	1.387
C10	0.002	0.784	0.000
H11	0.458	1.792	0.000
C12	0.526	-1.304	0.000
H13	1.356	-2.022	0.000
H14	-0.426	-1.848	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0203	1.0203	2.4544	2.6321	3.3804	2.4544	2.6321	3.3804	1.4555	2.1622	2.8763	3.9703	2.8242
H2	1.0203		1.6216	3.3393	3.6363	4.1806	2.7712	2.6193	3.6029	2.0339	2.4397	3.5800	4.6489	3.5278
H3	1.0203	1.6216		2.7712	2.6193	3.6029	3.3393	3.6363	4.1806	2.0339	2.4397	3.5800	4.6489	3.5278
C4	2.4544	3.3393	2.7712		1.0989	1.0988	2.1408	3.0995	2.6729	1.5432	2.2589	1.5402	2.2734	2.1862
H5	2.6321	3.6363	2.6193	1.0989		1.7898	3.0995	3.9234	3.7528	2.2609	2.9473	2.2759	2.9695	2.4981
H6	3.3804	4.1806	3.6029	1.0988	1.7898		2.6729	3.7528	2.7731	2.1950	2.4652	2.2000	2.5145	3.0778
C7	2.4544	2.7712	3.3393	2.1408	3.0995	2.6729		1.0989	1.0988	1.5432	2.2589	1.5402	2.2734	2.1862
H8	2.6321	2.6193	3.6363	3.0995	3.9234	3.7528	1.0989		1.7898	2.2609	2.9473	2.2759	2.9695	2.4981
H9	3.3804	3.6029	4.1806	2.6729	3.7528	2.7731	1.0988	1.7898		2.1950	2.4652	2.2000	2.5145	3.0778
C10	1.4555	2.0339	2.0339	1.5432	2.2609	2.1950	1.5432	2.2609	2.1950		1.1066	2.1524	3.1157	2.6661
H11	2.1622	2.4397	2.4397	2.2589	2.9473	2.4652	2.2589	2.9473	2.4652	1.1066		3.0963	3.9180	3.7454
C12	2.8763	3.5800	3.5800	1.5402	2.2759	2.2000	1.5402	2.2759	2.2000	2.1524	3.0963		1.0978	1.0963
H13	3.9703	4.6489	4.6489	2.2734	2.9695	2.5145	2.2734	2.9695	2.5145	3.1157	3.9180	1.0978		1.7906
H14	2.8242	3.5278	3.5278	2.1862	2.4981	3.0778	2.1862	2.4981	3.0778	2.6661	3.7454	1.0963	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.838	N1	C10	C7	109.838
N1	C10	H11	114.424	H2	N1	H3	105.243
H2	N1	C10	109.214	H3	N1	C10	109.214
C4	C10	C7	87.839	C4	C10	H11	115.988
C4	C12	C7	88.047	C4	C12	H13	118.061
C4	C12	H14	110.905	H5	C4	H6	109.052
H5	C4	C10	116.683	H5	C4	C12	118.203
H6	C4	C10	111.252	H6	C4	C12	111.858
C7	C10	H11	115.988	C7	C12	H13	118.061
C7	C12	H14	110.905	H8	C7	H9	109.052
H8	C7	C10	116.683	H8	C7	C12	118.203
H9	C7	C10	111.252	H9	C7	C12	111.858
C10	C4	C12	88.545	C10	C7	C12	88.545
H13	C12	H14	109.389

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B1B95/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	-0.158
2	H	0.080
3	H	0.080
4	C	0.035
5	H	0.009
6	H	0.016
7	C	0.035
8	H	0.009
9	H	0.016
10	C	-0.119
11	H	-0.022
12	C	-0.028
13	H	0.013
14	H	0.033

	x	y	z	Total
	0.054	1.215	0.000	1.216
CHELPG
AIM
ESP

	x	y	z
x	7.509	-0.538	0.000
y	-0.538	7.295	0.000
z	0.000	0.000	7.485

<r²>	112.429
(<r²>)^1/2	10.603

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)