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	hartrees
Energy at 0K	-212.265146
Energy at 298.15K	-212.276125
HF Energy	-212.265146
Nuclear repulsion energy	186.300934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3358	3303	6.41
2	A'	3082	3031	47.66
3	A'	3050	2999	23.41
4	A'	3019	2969	37.26
5	A'	3002	2952	15.14
6	A'	2887	2839	108.24
7	A'	1642	1615	17.65
8	A'	1478	1453	4.28
9	A'	1452	1428	2.13
10	A'	1352	1330	24.54
11	A'	1259	1238	4.63
12	A'	1215	1195	0.74
13	A'	1135	1116	6.47
14	A'	1072	1054	8.66
15	A'	961	945	10.60
16	A'	877	862	8.74
17	A'	853	839	92.33
18	A'	811	797	28.84
19	A'	646	636	0.99
20	A'	393	386	5.20
21	A'	153	151	1.61
22	A"	3448	3392	1.20
23	A"	3055	3004	8.33
24	A"	2997	2948	72.68
25	A"	1444	1420	1.41
26	A"	1320	1299	0.17
27	A"	1247	1226	0.54
28	A"	1226	1206	0.07
29	A"	1200	1180	0.37
30	A"	1137	1119	1.15
31	A"	1012	995	0.31
32	A"	937	922	0.60
33	A"	908	893	1.71
34	A"	753	741	1.11
35	A"	380	374	11.93
36	A"	276	271	32.67

Atom	x (Å)	y (Å)	z (Å)
N1	-1.430	0.884	0.000
H2	-1.746	1.406	0.824
H3	-1.746	1.406	-0.824
C4	0.506	-0.228	-1.083
H5	-0.157	-0.359	-1.955
H6	1.524	0.007	-1.438
C7	0.506	-0.228	1.083
H8	-0.157	-0.359	1.955
H9	1.524	0.007	1.438
C10	0.031	0.784	0.000
H11	0.555	1.764	0.000
C12	0.506	-1.344	0.000
H13	1.353	-2.050	0.000
H14	-0.436	-1.911	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0251	1.0251	2.4819	2.6431	3.4004	2.4819	2.6431	3.4004	1.4648	2.1723	2.9515	4.0435	2.9659
H2	1.0251		1.6476	3.3731	3.6548	4.2144	2.7943	2.6299	3.6089	2.0549	2.4703	3.6483	4.7138	3.6597
H3	1.0251	1.6476		2.7943	2.6299	3.6089	3.3731	3.6548	4.2144	2.0549	2.4703	3.6483	4.7138	3.6597
C4	2.4819	3.3731	2.7943		1.1029	1.1028	2.1663	3.1122	2.7285	1.5564	2.2684	1.5549	2.2821	2.2121
H5	2.6431	3.6548	2.6299	1.1029		1.7960	3.1122	3.9095	3.8034	2.2717	2.9724	2.2872	2.9933	2.5117
H6	3.4004	4.2144	3.6089	1.1028	1.7960		2.7285	3.8034	2.8751	2.2133	2.4686	2.2193	2.5149	3.0961
C7	2.4819	2.7943	3.3731	2.1663	3.1122	2.7285		1.1029	1.1028	1.5564	2.2684	1.5549	2.2821	2.2121
H8	2.6431	2.6299	3.6548	3.1122	3.9095	3.8034	1.1029		1.7960	2.2717	2.9724	2.2872	2.9933	2.5117
H9	3.4004	3.6089	4.2144	2.7285	3.8034	2.8751	1.1028	1.7960		2.2133	2.4686	2.2193	2.5149	3.0961
C10	1.4648	2.0549	2.0549	1.5564	2.2717	2.2133	1.5564	2.2717	2.2133		1.1122	2.1797	3.1264	2.7346
H11	2.1723	2.4703	2.4703	2.2684	2.9724	2.4686	2.2684	2.9724	2.4686	1.1122		3.1085	3.8966	3.8067
C12	2.9515	3.6483	3.6483	1.5549	2.2872	2.2193	1.5549	2.2872	2.2193	2.1797	3.1085		1.1022	1.1001
H13	4.0435	4.7138	4.7138	2.2821	2.9933	2.5149	2.2821	2.9933	2.5149	3.1264	3.8966	1.1022		1.7944
H14	2.9659	3.6597	3.6597	2.2121	2.5117	3.0961	2.2121	2.5117	3.0961	2.7346	3.8067	1.1001	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.429	N1	C10	C7	110.429
N1	C10	H11	114.215	H2	N1	H3	106.958
H2	N1	C10	109.982	H3	N1	C10	109.982
C4	C10	C7	88.199	C4	C10	H11	115.418
C4	C12	C7	88.309	C4	C12	H13	117.362
C4	C12	H14	111.709	H5	C4	H6	109.024
H5	C4	C10	116.309	H5	C4	C12	117.752
H6	C4	C10	111.535	H6	C4	C12	112.124
C7	C10	H11	115.418	C7	C12	H13	117.362
C7	C12	H14	111.709	H8	C7	H9	109.024
H8	C7	C10	116.309	H8	C7	C12	117.752
H9	C7	C10	111.535	H9	C7	C12	112.124
C10	C4	C12	88.944	C10	C7	C12	88.944
H13	C12	H14	109.128

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: PBEPBEultrafine/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	-0.698
2	H	0.295
3	H	0.295
4	C	-0.286
5	H	0.147
6	H	0.144
7	C	-0.286
8	H	0.147
9	H	0.144
10	C	-0.039
11	H	0.117
12	C	-0.291
13	H	0.144
14	H	0.168

	x	y	z	Total
	0.202	1.293	0.000	1.309
CHELPG
AIM
ESP

	x	y	z
x	7.386	-0.571	-0.003
y	-0.571	7.034	-0.001
z	-0.003	-0.001	7.241

<r²>	114.342
(<r²>)^1/2	10.693

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)