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	hartrees
Energy at 0K	-36.844947
Energy at 298.15K	-36.856354
Nuclear repulsion energy	105.126392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3706	3348	1.44
2	A'	3282	2965	108.25
3	A'	3247	2933	38.02
4	A'	3223	2911	51.10
5	A'	3201	2892	65.29
6	A'	3147	2843	106.35
7	A'	1834	1656	37.78
8	A'	1643	1484	2.45
9	A'	1606	1451	1.52
10	A'	1514	1367	31.02
11	A'	1427	1289	1.09
12	A'	1343	1214	3.83
13	A'	1264	1142	19.04
14	A'	1161	1049	7.69
15	A'	1025	926	22.04
16	A'	977	882	110.81
17	A'	949	857	4.67
18	A'	878	793	16.39
19	A'	723	653	0.60
20	A'	425	384	4.98
21	A'	157	142	1.37
22	A"	3784	3418	0.08
23	A"	3251	2937	23.26
24	A"	3197	2888	114.92
25	A"	1603	1448	0.52
26	A"	1476	1334	1.34
27	A"	1394	1260	0.11
28	A"	1381	1247	0.32
29	A"	1328	1199	0.09
30	A"	1274	1151	0.49
31	A"	1112	1005	0.42
32	A"	1006	909	0.23
33	A"	986	891	3.09
34	A"	820	741	0.19
35	A"	414	374	12.56
36	A"	301	272	37.12

Atom	x (Å)	y (Å)	z (Å)
N1	-1.407	0.911	0.000
H2	-1.701	1.434	0.806
H3	-1.701	1.434	-0.806
C4	0.504	-0.248	-1.083
H5	-0.158	-0.375	-1.935
H6	1.506	-0.028	-1.444
C7	0.504	-0.248	1.083
H8	-0.158	-0.375	1.935
H9	1.506	-0.028	1.444
C10	0.050	0.766	0.000
H11	0.571	1.725	0.000
C12	0.504	-1.362	0.000
H13	1.342	-2.053	0.000
H14	-0.420	-1.928	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0046	1.0046	2.4842	2.6385	3.3847	2.4842	2.6385	3.3847	1.4643	2.1396	2.9701	4.0430	3.0060
H2	1.0046		1.6121	3.3559	3.6291	4.1820	2.7874	2.6325	3.5824	2.0401	2.4291	3.6510	4.6979	3.6869
H3	1.0046	1.6121		2.7874	2.6325	3.5824	3.3559	3.6291	4.1820	2.0401	2.4291	3.6510	4.6979	3.6869
C4	2.4842	3.3559	2.7874		1.0864	1.0872	2.1665	3.0929	2.7272	1.5519	2.2517	1.5538	2.2658	2.2024
H5	2.6385	3.6291	2.6325	1.0864		1.7691	3.0929	3.8707	3.7824	2.2563	2.9474	2.2710	2.9682	2.4953
H6	3.3847	4.1820	3.5824	1.0872	1.7691		2.7272	3.7824	2.8876	2.1994	2.4563	2.2060	2.4920	3.0664
C7	2.4842	2.7874	3.3559	2.1665	3.0929	2.7272		1.0864	1.0872	1.5519	2.2517	1.5538	2.2658	2.2024
H8	2.6385	2.6325	3.6291	3.0929	3.8707	3.7824	1.0864		1.7691	2.2563	2.9474	2.2710	2.9682	2.4953
H9	3.3847	3.5824	4.1820	2.7272	3.7824	2.8876	1.0872	1.7691		2.1994	2.4563	2.2060	2.4920	3.0664
C10	1.4643	2.0401	2.0401	1.5519	2.2563	2.1994	1.5519	2.2563	2.1994		1.0915	2.1761	3.1014	2.7349
H11	2.1396	2.4291	2.4291	2.2517	2.9474	2.4563	2.2517	2.9474	2.4563	1.0915		3.0877	3.8559	3.7852
C12	2.9701	3.6510	3.6510	1.5538	2.2710	2.2060	1.5538	2.2710	2.2060	2.1761	3.0877		1.0861	1.0839
H13	4.0430	4.6979	4.6979	2.2658	2.9682	2.4920	2.2658	2.9682	2.4920	3.1014	3.8559	1.0861		1.7665
H14	3.0060	3.6869	3.6869	2.2024	2.4953	3.0664	2.2024	2.4953	3.0664	2.7349	3.7852	1.0839	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.863	N1	C10	C7	110.863
N1	C10	H11	112.869	H2	N1	H3	106.716
H2	N1	C10	110.050	H3	N1	C10	110.050
C4	C10	C7	88.532	C4	C10	H11	115.724
C4	C12	C7	88.396	C4	C12	H13	117.144
C4	C12	H14	111.992	H5	C4	H6	108.958
H5	C4	C10	116.456	H5	C4	C12	117.577
H6	C4	C10	111.687	H6	C4	C12	112.078
C7	C10	H11	115.724	C7	C12	H13	117.144
C7	C12	H14	111.992	H8	C7	H9	108.958
H8	C7	C10	116.456	H8	C7	C12	117.577
H9	C7	C10	111.687	H9	C7	C12	112.078
C10	C4	C12	88.963	C10	C7	C12	88.963
H13	C12	H14	108.990

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/CEP-121G*

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	-0.827
2	H	0.320
3	H	0.320
4	C	-0.417
5	H	0.169
6	H	0.152
7	C	-0.417
8	H	0.169
9	H	0.152
10	C	0.181
11	H	0.171
12	C	-0.302
13	H	0.163
14	H	0.164

	x	y	z
x	7.244	-0.458	0.000
y	-0.458	7.285	0.000
z	0.000	0.000	7.423

<r²>	97.565
(<r²>)^1/2	9.877

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)