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	hartrees
Energy at 0K	-210.413928
Energy at 298.15K	-210.425214
HF Energy	-209.944250
Nuclear repulsion energy	185.897443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3409	3254	3.32
2	A'	3222	3076	24.54
3	A'	3181	3036	20.28
4	A'	3143	3000	26.73
5	A'	3117	2975	17.76
6	A'	3038	2900	78.37
7	A'	1748	1669	14.21
8	A'	1584	1512	4.07
9	A'	1564	1493	3.33
10	A'	1424	1359	16.27
11	A'	1322	1262	10.33
12	A'	1272	1214	0.66
13	A'	1167	1114	1.81
14	A'	1083	1034	13.36
15	A'	947	904	9.90
16	A'	926	884	0.30
17	A'	861	822	5.14
18	A'	794	758	145.29
19	A'	675	645	6.58
20	A'	412	393	4.32
21	A'	225	215	2.95
22	A"	3511	3351	0.67
23	A"	3183	3038	12.63
24	A"	3112	2971	41.10
25	A"	1560	1489	1.76
26	A"	1379	1316	0.01
27	A"	1338	1277	1.48
28	A"	1309	1249	0.10
29	A"	1253	1196	0.61
30	A"	1196	1142	1.58
31	A"	1087	1037	0.01
32	A"	908	866	3.06
33	A"	902	861	0.57
34	A"	791	755	0.26
35	A"	395	377	12.75
36	A"	303	290	39.11

Atom	x (Å)	y (Å)	z (Å)
N1	-1.503	0.663	0.000
H2	-1.919	1.086	0.835
H3	-1.919	1.086	-0.835
C4	0.561	-0.148	-1.095
H5	-0.044	-0.296	-1.992
H6	1.584	0.141	-1.355
C7	0.561	-0.148	1.095
H8	-0.044	-0.296	1.992
H9	1.584	0.141	1.355
C10	-0.024	0.822	0.000
H11	0.344	1.857	0.000
C12	0.561	-1.287	0.000
H13	1.390	-1.996	0.000
H14	-0.404	-1.793	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0249	1.0249	2.4725	2.6486	3.4108	2.4725	2.6486	3.4108	1.4874	2.2001	2.8385	3.9288	2.6907
H2	1.0249		1.6709	3.3760	3.6633	4.2378	2.7819	2.6006	3.6650	2.0880	2.5332	3.5321	4.5983	3.3592
H3	1.0249	1.6709		2.7819	2.6006	3.6650	3.3760	3.6633	4.2378	2.0880	2.5332	3.5321	4.5983	3.3592
C4	2.4725	3.3760	2.7819		1.0918	1.0944	2.1894	3.1486	2.6701	1.5749	2.2950	1.5795	2.3025	2.1991
H5	2.6486	3.6633	2.6006	1.0918		1.8015	3.1486	3.9837	3.7468	2.2839	2.9588	2.3053	2.9855	2.5179
H6	3.4108	4.2378	3.6650	1.0944	1.8015		2.6701	3.7468	2.7093	2.2097	2.5133	2.2181	2.5379	3.0867
C7	2.4725	2.7819	3.3760	2.1894	3.1486	2.6701		1.0918	1.0944	1.5749	2.2950	1.5795	2.3025	2.1991
H8	2.6486	2.6006	3.6633	3.1486	3.9837	3.7468	1.0918		1.8015	2.2839	2.9588	2.3053	2.9855	2.5179
H9	3.4108	3.6650	4.2378	2.6701	3.7468	2.7093	1.0944	1.8015		2.2097	2.5133	2.2181	2.5379	3.0867
C10	1.4874	2.0880	2.0880	1.5749	2.2839	2.2097	1.5749	2.2839	2.2097		1.0994	2.1877	3.1524	2.6424
H11	2.2001	2.5332	2.5332	2.2950	2.9588	2.5133	2.2950	2.9588	2.5133	1.0994		3.1515	3.9929	3.7267
C12	2.8385	3.5321	3.5321	1.5795	2.3053	2.2181	1.5795	2.3053	2.2181	2.1877	3.1515		1.0912	1.0895
H13	3.9288	4.5983	4.5983	2.3025	2.9855	2.5379	2.3025	2.9855	2.5379	3.1524	3.9929	1.0912		1.8047
H14	2.6907	3.3592	3.3592	2.1991	2.5179	3.0867	2.1991	2.5179	3.0867	2.6424	3.7267	1.0895	1.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	107.654	N1	C10	C7	107.654
N1	C10	H11	115.713	H2	N1	H3	109.204
H2	N1	C10	111.084	H3	N1	C10	111.084
C4	C10	C7	88.073	C4	C10	H11	117.109
C4	C12	C7	87.749	C4	C12	H13	117.957
C4	C12	H14	109.594	H5	C4	H6	110.981
H5	C4	C10	116.681	H5	C4	C12	118.162
H6	C4	C10	110.454	H6	C4	C12	110.796
C7	C10	H11	117.109	C7	C12	H13	117.957
C7	C12	H14	109.594	H8	C7	H9	110.981
H8	C7	C10	116.681	H8	C7	C12	118.162
H9	C7	C10	110.454	H9	C7	C12	110.796
C10	C4	C12	87.824	C10	C7	C12	87.824
H13	C12	H14	111.709

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: MP2/3-21G

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	-0.651	-0.880
2	H	0.262	0.334
3	H	0.262	0.334
4	C	-0.334	-0.391
5	H	0.178	0.123
6	H	0.181	0.103
7	C	-0.334	-0.391
8	H	0.178	0.123
9	H	0.181	0.103
10	C	-0.102	0.445
11	H	0.153	-0.046
12	C	-0.363	0.108
13	H	0.170	0.017
14	H	0.217	0.017

	x	y	z	Total
	-0.126	1.401	0.000	1.407
CHELPG
AIM
ESP	-0.147	1.394	0.000	1.401

	x	y	z
x	6.761	-0.397	0.000
y	-0.397	6.067	0.000
z	0.000	0.000	6.580

<r²>	113.893
(<r²>)^1/2	10.672

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)