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	hartrees
Energy at 0K	-212.484033
Energy at 298.15K	-212.495171
Nuclear repulsion energy	187.322129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3328	2.68
2	A'	3158	3022	50.41
3	A'	3127	2991	23.09
4	A'	3095	2961	36.91
5	A'	3078	2945	19.19
6	A'	2977	2848	104.38
7	A'	1692	1619	22.78
8	A'	1526	1460	4.14
9	A'	1498	1433	2.26
10	A'	1403	1342	25.60
11	A'	1308	1251	4.82
12	A'	1256	1202	1.47
13	A'	1175	1124	8.62
14	A'	1101	1053	8.25
15	A'	984	942	8.28
16	A'	901	862	5.12
17	A'	885	846	101.51
18	A'	831	795	35.55
19	A'	671	642	1.04
20	A'	404	387	5.39
21	A'	162	155	1.63
22	A"	3569	3414	0.11
23	A"	3131	2996	9.63
24	A"	3074	2941	72.76
25	A"	1491	1426	1.57
26	A"	1364	1305	0.23
27	A"	1289	1233	0.74
28	A"	1273	1217	0.13
29	A"	1239	1185	0.52
30	A"	1180	1129	0.82
31	A"	1045	1000	0.25
32	A"	964	922	0.69
33	A"	936	896	2.05
34	A"	776	743	1.05
35	A"	392	375	12.09
36	A"	288	275	34.76

Atom	x (Å)	y (Å)	z (Å)
N1	-1.431	0.863	0.000
H2	-1.743	1.388	0.815
H3	-1.743	1.388	-0.815
C4	0.508	-0.222	-1.077
H5	-0.143	-0.355	-1.948
H6	1.521	0.017	-1.421
C7	0.508	-0.222	1.077
H8	-0.143	-0.355	1.948
H9	1.521	0.017	1.421
C10	0.025	0.780	0.000
H11	0.532	1.761	0.000
C12	0.508	-1.331	0.000
H13	1.345	-2.038	0.000
H14	-0.432	-1.889	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0185	1.0185	2.4698	2.6343	3.3833	2.4698	2.6343	3.3833	1.4583	2.1577	2.9289	4.0152	2.9279
H2	1.0185		1.6301	3.3533	3.6382	4.1873	2.7809	2.6240	3.5917	2.0401	2.4451	3.6237	4.6838	3.6225
H3	1.0185	1.6301		2.7809	2.6240	3.5917	3.3533	3.6382	4.1873	2.0401	2.4451	3.6237	4.6838	3.6225
C4	2.4698	3.3533	2.7809		1.0954	1.0956	2.1541	3.0972	2.7061	1.5486	2.2568	1.5459	2.2706	2.1955
H5	2.6343	3.6382	2.6240	1.0954		1.7838	3.0972	3.8961	3.7758	2.2608	2.9539	2.2741	2.9729	2.4960
H6	3.3833	4.1873	3.5917	1.0956	1.7838		2.7061	3.7758	2.8424	2.1995	2.4571	2.2053	2.5049	3.0763
C7	2.4698	2.7809	3.3533	2.1541	3.0972	2.7061		1.0954	1.0956	1.5486	2.2568	1.5459	2.2706	2.1955
H8	2.6343	2.6240	3.6382	3.0972	3.8961	3.7758	1.0954		1.7838	2.2608	2.9539	2.2741	2.9729	2.4960
H9	3.3833	3.5917	4.1873	2.7061	3.7758	2.8424	1.0956	1.7838		2.1995	2.4571	2.2053	2.5049	3.0763
C10	1.4583	2.0401	2.0401	1.5486	2.2608	2.1995	1.5486	2.2608	2.1995		1.1038	2.1659	3.1115	2.7074
H11	2.1577	2.4451	2.4451	2.2568	2.9539	2.4571	2.2568	2.9539	2.4571	1.1038		3.0921	3.8846	3.7743
C12	2.9289	3.6237	3.6237	1.5459	2.2741	2.2053	1.5459	2.2741	2.2053	2.1659	3.0921		1.0947	1.0928
H13	4.0152	4.6838	4.6838	2.2706	2.9729	2.5049	2.2706	2.9729	2.5049	3.1115	3.8846	1.0947		1.7825
H14	2.9279	3.6225	3.6225	2.1955	2.4960	3.0763	2.1955	2.4960	3.0763	2.7074	3.7743	1.0928	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.406	N1	C10	C7	110.406
N1	C10	H11	114.024	H2	N1	H3	106.312
H2	N1	C10	109.628	H3	N1	C10	109.628
C4	C10	C7	88.133	C4	C10	H11	115.587
C4	C12	C7	88.324	C4	C12	H13	117.578
C4	C12	H14	111.458	H5	C4	H6	109.008
H5	C4	C10	116.486	H5	C4	C12	117.840
H6	C4	C10	111.421	H6	C4	C12	112.073
C7	C10	H11	115.587	C7	C12	H13	117.578
C7	C12	H14	111.458	H8	C7	H9	109.008
H8	C7	C10	116.486	H8	C7	C12	117.840
H9	C7	C10	111.421	H9	C7	C12	112.073
C10	C4	C12	88.840	C10	C7	C12	88.840
H13	C12	H14	109.148

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken	ESP
1	N	-0.747	-0.887
2	H	0.311	0.326
3	H	0.311	0.326
4	C	-0.313	-0.312
5	H	0.161	0.093
6	H	0.157	0.081
7	C	-0.313	-0.312
8	H	0.161	0.093
9	H	0.157	0.081
10	C	-0.040	0.482
11	H	0.133	-0.084
12	C	-0.316	0.080
13	H	0.157	0.010
14	H	0.181	0.023

	x	y	z	Total
	0.238	1.310	0.000	1.331
CHELPG
AIM
ESP	0.237	1.305	0.000	1.326

<r²>	113.304
(<r²>)^1/2	10.644

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)