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	hartrees
Energy at 0K	-212.567228
Energy at 298.15K	-212.578299
Nuclear repulsion energy	186.325932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3439	3336	3.43
2	A'	3125	3031	57.33
3	A'	3095	3002	21.40
4	A'	3064	2972	33.58
5	A'	3047	2956	20.62
6	A'	2947	2858	103.74
7	A'	1637	1588	14.89
8	A'	1474	1430	4.38
9	A'	1442	1399	1.58
10	A'	1370	1328	23.77
11	A'	1282	1244	1.98
12	A'	1228	1192	1.06
13	A'	1153	1118	8.99
14	A'	1084	1051	7.59
15	A'	969	940	10.15
16	A'	885	858	9.09
17	A'	872	846	91.07
18	A'	819	794	14.04
19	A'	669	649	0.58
20	A'	402	390	4.37
21	A'	134	130	1.16
22	A"	3512	3407	0.32
23	A"	3101	3008	7.08
24	A"	3043	2952	75.77
25	A"	1438	1394	1.98
26	A"	1340	1299	0.34
27	A"	1267	1229	0.03
28	A"	1253	1215	0.32
29	A"	1217	1181	0.09
30	A"	1158	1124	1.14
31	A"	1027	996	0.39
32	A"	945	917	0.34
33	A"	917	890	1.38
34	A"	762	739	0.53
35	A"	388	377	8.73
36	A"	282	273	29.18

Atom	x (Å)	y (Å)	z (Å)
N1	-1.414	0.914	0.000
H2	-1.703	1.465	0.813
H3	-1.703	1.465	-0.813
C4	0.495	-0.241	-1.084
H5	-0.183	-0.367	-1.943
H6	1.508	-0.020	-1.456
C7	0.495	-0.241	1.084
H8	-0.183	-0.367	1.943
H9	1.508	-0.020	1.456
C10	0.044	0.780	0.000
H11	0.589	1.745	0.000
C12	0.495	-1.353	0.000
H13	1.339	-2.059	0.000
H14	-0.447	-1.919	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0237	1.0237	2.4810	2.6330	3.3959	2.4810	2.6330	3.3959	1.4643	2.1693	2.9641	4.0526	2.9938
H2	1.0237		1.6267	3.3675	3.6417	4.2027	2.7951	2.6346	3.5953	2.0448	2.4484	3.6650	4.7259	3.6998
H3	1.0237	1.6267		2.7951	2.6346	3.5953	3.3675	3.6417	4.2027	2.0448	2.4484	3.6650	4.7259	3.6998
C4	2.4810	3.3675	2.7951		1.1012	1.1013	2.1683	3.1045	2.7433	1.5556	2.2645	1.5532	2.2794	2.2090
H5	2.6330	3.6417	2.6346	1.1012		1.7934	3.1045	3.8857	3.8117	2.2671	2.9717	2.2818	2.9926	2.5008
H6	3.3959	4.2027	3.5953	1.1013	1.7934		2.7433	3.8117	2.9113	2.2141	2.4655	2.2186	2.5115	3.0899
C7	2.4810	2.7951	3.3675	2.1683	3.1045	2.7433		1.1012	1.1013	1.5556	2.2645	1.5532	2.2794	2.2090
H8	2.6330	2.6346	3.6417	3.1045	3.8857	3.8117	1.1012		1.7934	2.2671	2.9717	2.2818	2.9926	2.5008
H9	3.3959	3.5953	4.2027	2.7433	3.8117	2.9113	1.1013	1.7934		2.2141	2.4655	2.2186	2.5115	3.0899
C10	1.4643	2.0448	2.0448	1.5556	2.2671	2.2141	1.5556	2.2671	2.2141		1.1093	2.1797	3.1205	2.7426
H11	2.1693	2.4484	2.4484	2.2645	2.9717	2.4655	2.2645	2.9717	2.4655	1.1093		3.0996	3.8779	3.8080
C12	2.9641	3.6650	3.6650	1.5532	2.2818	2.2186	1.5532	2.2818	2.2186	2.1797	3.0996		1.1005	1.0990
H13	4.0526	4.7259	4.7259	2.2794	2.9926	2.5115	2.2794	2.9926	2.5115	3.1205	3.8779	1.1005		1.7913
H14	2.9938	3.6998	3.6998	2.2090	2.5008	3.0899	2.2090	2.5008	3.0899	2.7426	3.8080	1.0990	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.445	N1	C10	C7	110.445
N1	C10	H11	114.191	H2	N1	H3	105.227
H2	N1	C10	109.269	H3	N1	C10	109.269
C4	C10	C7	88.365	C4	C10	H11	115.351
C4	C12	C7	88.532	C4	C12	H13	117.373
C4	C12	H14	111.642	H5	C4	H6	109.026
H5	C4	C10	116.100	H5	C4	C12	117.539
H6	C4	C10	111.750	H6	C4	C12	112.271
C7	C10	H11	115.351	C7	C12	H13	117.373
C7	C12	H14	111.642	H8	C7	H9	109.026
H8	C7	C10	116.100	H8	C7	C12	117.539
H9	C7	C10	111.750	H9	C7	C12	112.271
C10	C4	C12	89.035	C10	C7	C12	89.035
H13	C12	H14	109.057

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B3LYP/cc-pVDZ

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	-0.148
2	H	0.070
3	H	0.070
4	C	0.059
5	H	-0.005
6	H	-0.001
7	C	0.059
8	H	-0.005
9	H	-0.001
10	C	-0.075
11	H	-0.038
12	C	-0.002
13	H	-0.000
14	H	0.016

	x	y	z	Total
	0.174	1.177	0.000	1.190
CHELPG
AIM
ESP

	x	y	z
x	7.505	-0.594	0.000
y	-0.594	7.429	0.000
z	0.000	0.000	7.544

<r²>	114.937
(<r²>)^1/2	10.721

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)