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	hartrees
Energy at 0K	-211.286032
Energy at 298.15K	-211.297179
HF Energy	-211.286032
Nuclear repulsion energy	186.840391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3440	3258	0.54
2	A'	3174	3007	30.51
3	A'	3149	2983	12.26
4	A'	3102	2938	16.90
5	A'	3076	2913	4.89
6	A'	3009	2851	71.30
7	A'	1705	1615	20.88
8	A'	1540	1459	5.77
9	A'	1509	1429	5.19
10	A'	1392	1319	17.45
11	A'	1303	1234	15.69
12	A'	1246	1180	1.06
13	A'	1156	1095	2.03
14	A'	1080	1023	6.84
15	A'	951	901	1.85
16	A'	902	855	2.70
17	A'	876	830	3.07
18	A'	708	671	155.20
19	A'	646	612	38.54
20	A'	405	383	4.05
21	A'	188	178	2.22
22	A"	3543	3356	0.18
23	A"	3156	2989	0.11
24	A"	3071	2909	42.44
25	A"	1512	1432	4.58
26	A"	1346	1275	0.00
27	A"	1304	1235	2.29
28	A"	1291	1222	0.12
29	A"	1228	1163	1.63
30	A"	1159	1098	1.22
31	A"	1064	1008	0.01
32	A"	923	874	0.52
33	A"	911	863	3.03
34	A"	779	738	0.76
35	A"	399	378	16.17
36	A"	308	291	33.82

Atom	x (Å)	y (Å)	z (Å)
N1	-1.477	0.687	0.000
H2	-1.909	1.080	0.841
H3	-1.909	1.080	-0.841
C4	0.550	-0.156	-1.090
H5	-0.075	-0.301	-1.972
H6	1.569	0.119	-1.371
C7	0.550	-0.156	1.090
H8	-0.075	-0.301	1.972
H9	1.569	0.119	1.371
C10	-0.012	0.819	0.000
H11	0.377	1.846	0.000
C12	0.550	-1.286	0.000
H13	1.382	-1.989	0.000
H14	-0.412	-1.797	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0235	1.0235	2.4507	2.6135	3.3889	2.4507	2.6135	3.3889	1.4714	2.1866	2.8284	3.9160	2.7030
H2	1.0235		1.6814	3.3612	3.6305	4.2325	2.7628	2.5593	3.6474	2.0914	2.5530	3.5140	4.5776	3.3505
H3	1.0235	1.6814		2.7628	2.5593	3.6474	3.3612	3.6305	4.2325	2.0914	2.5530	3.5140	4.5776	3.3505
C4	2.4507	3.3612	2.7628		1.0907	1.0929	2.1795	3.1281	2.6778	1.5662	2.2859	1.5700	2.2895	2.1923
H5	2.6135	3.6305	2.5593	1.0907		1.8007	3.1281	3.9436	3.7491	2.2689	2.9504	2.2908	2.9764	2.4977
H6	3.3889	4.2325	3.6474	1.0929	1.8007		2.6778	3.7491	2.7420	2.2068	2.5072	2.2120	2.5217	3.0782
C7	2.4507	2.7628	3.3612	2.1795	3.1281	2.6778		1.0907	1.0929	1.5662	2.2859	1.5700	2.2895	2.1923
H8	2.6135	2.5593	3.6305	3.1281	3.9436	3.7491	1.0907		1.8007	2.2689	2.9504	2.2908	2.9764	2.4977
H9	3.3889	3.6474	4.2325	2.6778	3.7491	2.7420	1.0929	1.8007		2.2068	2.5072	2.2120	2.5217	3.0782
C10	1.4714	2.0914	2.0914	1.5662	2.2689	2.2068	1.5662	2.2689	2.2068		1.0981	2.1786	3.1350	2.6467
H11	2.1866	2.5530	2.5530	2.2859	2.9504	2.5072	2.2859	2.9504	2.5072	1.0981		3.1369	3.9649	3.7278
C12	2.8284	3.5140	3.5140	1.5700	2.2908	2.2120	1.5700	2.2908	2.2120	2.1786	3.1369		1.0895	1.0889
H13	3.9160	4.5776	4.5776	2.2895	2.9764	2.5217	2.2895	2.9764	2.5217	3.1350	3.9649	1.0895		1.8036
H14	2.7030	3.3505	3.3505	2.1923	2.4977	3.0782	2.1923	2.4977	3.0782	2.6467	3.7278	1.0889	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	107.522	N1	C10	C7	107.522
N1	C10	H11	115.872	H2	N1	H3	110.452
H2	N1	C10	112.676	H3	N1	C10	112.676
C4	C10	C7	88.180	C4	C10	H11	117.088
C4	C12	C7	87.915	C4	C12	H13	117.693
C4	C12	H14	109.757	H5	C4	H6	111.100
H5	C4	C10	116.135	H5	C4	C12	117.721
H6	C4	C10	110.925	H6	C4	C12	111.067
C7	C10	H11	117.088	C7	C12	H13	117.693
C7	C12	H14	109.757	H8	C7	H9	111.100
H8	C7	C10	116.135	H8	C7	C12	117.721
H9	C7	C10	110.925	H9	C7	C12	111.067
C10	C4	C12	87.999	C10	C7	C12	87.999
H13	C12	H14	111.782

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: M06-2X/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
1	N	-0.673
2	H	0.272
3	H	0.272
4	C	-0.350
5	H	0.193
6	H	0.194
7	C	-0.350
8	H	0.193
9	H	0.194
10	C	-0.138
11	H	0.170
12	C	-0.391
13	H	0.187
14	H	0.228

	x	y	z	Total
	-0.149	1.325	0.000	1.333
CHELPG
AIM
ESP

	x	y	z
x	6.802	-0.424	0.000
y	-0.424	6.087	0.000
z	0.000	0.000	6.619

<r²>	112.611
(<r²>)^1/2	10.612

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)