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	hartrees
Energy at 0K	-212.347507
Energy at 298.15K	-212.358471
Nuclear repulsion energy	186.574695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3362	3.27
2	A'	3060	3039	48.69
3	A'	3030	3009	19.59
4	A'	3003	2982	39.22
5	A'	2987	2966	15.34
6	A'	2886	2866	98.78
7	A'	1598	1587	18.15
8	A'	1445	1435	4.63
9	A'	1422	1412	2.68
10	A'	1330	1321	20.31
11	A'	1239	1230	6.87
12	A'	1201	1193	0.50
13	A'	1120	1112	6.83
14	A'	1058	1051	7.43
15	A'	946	940	7.08
16	A'	865	859	5.14
17	A'	832	826	74.24
18	A'	796	791	45.19
19	A'	646	641	1.27
20	A'	390	387	4.78
21	A'	152	151	1.06
22	A"	3465	3441	0.02
23	A"	3036	3015	8.41
24	A"	2982	2962	78.62
25	A"	1412	1403	3.50
26	A"	1298	1289	0.03
27	A"	1229	1220	0.37
28	A"	1216	1208	0.22
29	A"	1185	1176	0.91
30	A"	1128	1120	0.78
31	A"	998	991	0.14
32	A"	925	918	0.53
33	A"	896	889	1.45
34	A"	743	737	0.38
35	A"	379	376	8.16
36	A"	258	256	26.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.430	0.883	0.000
H2	-1.737	1.416	0.817
H3	-1.737	1.416	-0.817
C4	0.506	-0.229	-1.081
H5	-0.155	-0.358	-1.949
H6	1.519	0.005	-1.434
C7	0.506	-0.229	1.081
H8	-0.155	-0.358	1.949
H9	1.519	0.005	1.434
C10	0.033	0.781	0.000
H11	0.553	1.758	0.000
C12	0.506	-1.342	0.000
H13	1.344	-2.050	0.000
H14	-0.436	-1.902	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0229	1.0229	2.4807	2.6392	3.3951	2.4807	2.6392	3.3951	1.4660	2.1669	2.9493	4.0372	2.9577
H2	1.0229		1.6344	3.3681	3.6476	4.2033	2.7945	2.6331	3.6027	2.0503	2.4555	3.6479	4.7093	3.6571
H3	1.0229	1.6344		2.7945	2.6331	3.6027	3.3681	3.6476	4.2033	2.0503	2.4555	3.6479	4.7093	3.6571
C4	2.4807	3.3681	2.7945		1.0985	1.0986	2.1629	3.1047	2.7225	1.5540	2.2628	1.5516	2.2774	2.2036
H5	2.6392	3.6476	2.6331	1.0985		1.7892	3.1047	3.8986	3.7929	2.2657	2.9628	2.2814	2.9850	2.5027
H6	3.3951	4.2033	3.6027	1.0986	1.7892		2.7225	3.7929	2.8689	2.2070	2.4626	2.2133	2.5118	3.0853
C7	2.4807	2.7945	3.3681	2.1629	3.1047	2.7225		1.0985	1.0986	1.5540	2.2628	1.5516	2.2774	2.2036
H8	2.6392	2.6331	3.6476	3.1047	3.8986	3.7929	1.0985		1.7892	2.2657	2.9628	2.2814	2.9850	2.5027
H9	3.3951	3.6027	4.2033	2.7225	3.7929	2.8689	1.0986	1.7892		2.2070	2.4626	2.2133	2.5118	3.0853
C10	1.4660	2.0503	2.0503	1.5540	2.2657	2.2070	1.5540	2.2657	2.2070		1.1064	2.1753	3.1201	2.7244
H11	2.1669	2.4555	2.4555	2.2628	2.9628	2.4626	2.2628	2.9628	2.4626	1.1064		3.1000	3.8888	3.7914
C12	2.9493	3.6479	3.6479	1.5516	2.2814	2.2133	1.5516	2.2814	2.2133	2.1753	3.1000		1.0974	1.0961
H13	4.0372	4.7093	4.7093	2.2774	2.9850	2.5118	2.2774	2.9850	2.5118	3.1201	3.8888	1.0974		1.7866
H14	2.9577	3.6571	3.6571	2.2036	2.5027	3.0853	2.2036	2.5027	3.0853	2.7244	3.7914	1.0961	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.425	N1	C10	C7	110.425
N1	C10	H11	114.058	H2	N1	H3	106.046
H2	N1	C10	109.645	H3	N1	C10	109.645
C4	C10	C7	88.203	C4	C10	H11	115.520
C4	C12	C7	88.374	C4	C12	H13	117.550
C4	C12	H14	111.509	H5	C4	H6	109.047
H5	C4	C10	116.285	H5	C4	C12	117.818
H6	C4	C10	111.461	H6	C4	C12	112.134
C7	C10	H11	115.520	C7	C12	H13	117.550
C7	C12	H14	111.509	H8	C7	H9	109.047
H8	C7	C10	116.285	H8	C7	C12	117.818
H9	C7	C10	111.461	H9	C7	C12	112.134
C10	C4	C12	88.929	C10	C7	C12	88.929
H13	C12	H14	109.081

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: PBEPBE/cc-pVTZ

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	-0.304
2	H	0.121
3	H	0.121
4	C	-0.141
5	H	0.070
6	H	0.070
7	C	-0.141
8	H	0.070
9	H	0.070
10	C	-0.004
11	H	0.057
12	C	-0.144
13	H	0.080
14	H	0.076

	x	y	z	Total
	0.208	1.153	0.000	1.171
CHELPG
AIM
ESP

	x	y	z
x	8.353	-0.632	0.000
y	-0.632	8.409	0.000
z	0.000	0.000	8.416

<r²>	114.793
(<r²>)^1/2	10.714

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)