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	hartrees
Energy at 0K	-212.440733
Energy at 298.15K	-212.451931
Nuclear repulsion energy	188.389784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3507	3329	1.96
2	A'	3183	3022	43.56
3	A'	3149	2989	27.60
4	A'	3118	2960	36.33
5	A'	3098	2941	16.36
6	A'	3005	2853	100.47
7	A'	1697	1611	23.16
8	A'	1532	1455	4.12
9	A'	1502	1426	2.71
10	A'	1407	1336	25.37
11	A'	1315	1248	5.00
12	A'	1260	1196	1.68
13	A'	1180	1120	9.12
14	A'	1108	1052	7.49
15	A'	994	943	8.09
16	A'	912	865	6.37
17	A'	897	851	86.46
18	A'	840	797	46.94
19	A'	668	634	1.46
20	A'	400	380	4.77
21	A'	191	181	1.65
22	A"	3597	3415	0.02
23	A"	3152	2993	9.89
24	A"	3094	2937	71.27
25	A"	1493	1417	1.40
26	A"	1370	1301	0.15
27	A"	1294	1229	0.80
28	A"	1275	1210	0.09
29	A"	1243	1180	0.49
30	A"	1178	1118	0.86
31	A"	1047	994	0.21
32	A"	971	922	0.81
33	A"	945	897	1.79
34	A"	782	742	1.14
35	A"	391	371	14.18
36	A"	289	275	30.86

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.776	0.000
H2	-1.800	1.278	0.813
H3	-1.800	1.278	-0.813
C4	0.528	-0.192	-1.069
H5	-0.093	-0.332	-1.957
H6	1.542	0.073	-1.379
C7	0.528	-0.192	1.069
H8	-0.093	-0.332	1.957
H9	1.542	0.073	1.379
C10	-0.001	0.784	0.000
H11	0.445	1.790	0.000
C12	0.528	-1.300	0.000
H13	1.357	-2.010	0.000
H14	-0.416	-1.843	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0158	1.0158	2.4520	2.6294	3.3728	2.4520	2.6294	3.3728	1.4541	2.1535	2.8704	3.9582	2.8175
H2	1.0158		1.6262	3.3348	3.6304	4.1738	2.7648	2.6103	3.5967	2.0348	2.4415	3.5666	4.6297	3.5093
H3	1.0158	1.6262		2.7648	2.6103	3.5967	3.3348	3.6304	4.1738	2.0348	2.4415	3.5666	4.6297	3.5093
C4	2.4520	3.3348	2.7648		1.0927	1.0928	2.1382	3.0926	2.6628	1.5412	2.2535	1.5392	2.2661	2.1820
H5	2.6294	3.6304	2.6103	1.0927		1.7808	3.0926	3.9146	3.7372	2.2550	2.9365	2.2699	2.9578	2.4939
H6	3.3728	4.1738	3.5967	1.0928	1.7808		2.6628	3.7372	2.7576	2.1878	2.4600	2.1939	2.5053	3.0674
C7	2.4520	2.7648	3.3348	2.1382	3.0926	2.6628		1.0927	1.0928	1.5412	2.2535	1.5392	2.2661	2.1820
H8	2.6294	2.6103	3.6304	3.0926	3.9146	3.7372	1.0927		1.7808	2.2550	2.9365	2.2699	2.9578	2.4939
H9	3.3728	3.5967	4.1738	2.6628	3.7372	2.7576	1.0928	1.7808		2.1878	2.4600	2.1939	2.5053	3.0674
C10	1.4541	2.0348	2.0348	1.5412	2.2550	2.1878	1.5412	2.2550	2.1878		1.1003	2.1494	3.1065	2.6598
H11	2.1535	2.4415	2.4415	2.2535	2.9365	2.4600	2.2535	2.9365	2.4600	1.1003		3.0904	3.9080	3.7338
C12	2.8704	3.5666	3.5666	1.5392	2.2699	2.1939	1.5392	2.2699	2.1939	2.1494	3.0904		1.0917	1.0898
H13	3.9582	4.6297	4.6297	2.2661	2.9578	2.5053	2.2661	2.9578	2.5053	3.1065	3.9080	1.0917		1.7809
H14	2.8175	3.5093	3.5093	2.1820	2.4939	3.0674	2.1820	2.4939	3.0674	2.6598	3.7338	1.0898	1.7809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.859	N1	C10	C7	109.859
N1	C10	H11	114.215	H2	N1	H3	106.350
H2	N1	C10	109.666	H3	N1	C10	109.666
C4	C10	C7	87.842	C4	C10	H11	116.101
C4	C12	C7	87.988	C4	C12	H13	117.933
C4	C12	H14	111.038	H5	C4	H6	109.140
H5	C4	C10	116.738	H5	C4	C12	118.195
H6	C4	C10	111.177	H6	C4	C12	111.810
C7	C10	H11	116.101	C7	C12	H13	117.933
C7	C12	H14	111.038	H8	C7	H9	109.140
H8	C7	C10	116.738	H8	C7	C12	118.195
H9	C7	C10	111.177	H9	C7	C12	111.810
C10	C4	C12	88.497	C10	C7	C12	88.497
H13	C12	H14	109.438

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B1B95/6-31G*

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
1	N	-0.737
2	H	0.309
3	H	0.309
4	C	-0.302
5	H	0.155
6	H	0.154
7	C	-0.302
8	H	0.155
9	H	0.154
10	C	-0.050
11	H	0.131
12	C	-0.307
13	H	0.153
14	H	0.179

	x	y	z	Total
	0.142	1.319	0.000	1.327
CHELPG
AIM
ESP

	x	y	z
x	7.140	-0.491	0.000
y	-0.491	6.736	0.000
z	0.000	0.000	7.004

<r²>	111.805
(<r²>)^1/2	10.574

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)