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	hartrees
Energy at 0K	-211.157118
Energy at 298.15K	-211.168271
HF Energy	-211.157118
Nuclear repulsion energy	187.130013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3309	2.42
2	A'	3208	3090	25.87
3	A'	3170	3053	18.02
4	A'	3131	3016	26.04
5	A'	3108	2994	18.30
6	A'	3002	2891	93.80
7	A'	1715	1652	18.62
8	A'	1537	1481	6.55
9	A'	1509	1454	6.84
10	A'	1389	1338	16.76
11	A'	1298	1250	17.19
12	A'	1256	1210	0.88
13	A'	1157	1114	1.77
14	A'	1084	1045	7.22
15	A'	957	922	1.74
16	A'	908	874	2.49
17	A'	874	842	2.58
18	A'	713	687	147.97
19	A'	651	627	45.96
20	A'	402	388	4.75
21	A'	193	186	2.39
22	A"	3539	3409	0.04
23	A"	3173	3056	10.51
24	A"	3102	2988	46.28
25	A"	1509	1453	5.53
26	A"	1355	1305	0.01
27	A"	1313	1265	2.64
28	A"	1289	1241	0.03
29	A"	1235	1190	1.96
30	A"	1169	1126	1.53
31	A"	1074	1034	0.00
32	A"	932	898	0.73
33	A"	917	883	3.08
34	A"	785	756	0.77
35	A"	396	382	11.56
36	A"	284	273	40.60

Atom	x (Å)	y (Å)	z (Å)
N1	-1.372	0.981	0.000
H2	-1.656	1.547	0.820
H3	-1.656	1.547	-0.820
C4	0.468	-0.263	-1.098
H5	-0.298	-0.360	-1.868
H6	1.465	-0.097	-1.511
C7	0.468	-0.263	1.098
H8	-0.298	-0.360	1.868
H9	1.465	-0.097	1.511
C10	0.099	0.783	0.000
H11	0.692	1.713	0.000
C12	0.468	-1.386	0.000
H13	1.342	-2.040	0.000
H14	-0.467	-1.946	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0363	1.0363	2.4779	2.5376	3.3905	2.4779	2.5376	3.3905	1.4843	2.1905	2.9976	4.0607	3.0637
H2	1.0363		1.6403	3.3866	3.5645	4.2283	2.8046	2.5646	3.5948	2.0824	2.4928	3.7127	4.7460	3.7801
H3	1.0363	1.6403		2.8046	2.5646	3.5948	3.3866	3.5645	4.2283	2.0824	2.4928	3.7127	4.7460	3.7801
C4	2.4779	3.3866	2.8046		1.0902	1.0921	2.1967	3.0651	2.7982	1.5610	2.2722	1.5704	2.2641	2.2165
H5	2.5376	3.5645	2.5646	1.0902		1.8186	3.0651	3.7358	3.8203	2.2253	2.9609	2.2646	3.0002	2.4565
H6	3.3905	4.2283	3.5948	1.0921	1.8186		2.7982	3.8203	3.0213	2.2188	2.4810	2.2223	2.4643	3.0719
C7	2.4779	2.8046	3.3866	2.1967	3.0651	2.7982		1.0902	1.0921	1.5610	2.2722	1.5704	2.2641	2.2165
H8	2.5376	2.5646	3.5645	3.0651	3.7358	3.8203	1.0902		1.8186	2.2253	2.9609	2.2646	3.0002	2.4565
H9	3.3905	3.5948	4.2283	2.7982	3.8203	3.0213	1.0921	1.8186		2.2188	2.4810	2.2223	2.4643	3.0719
C10	1.4843	2.0824	2.0824	1.5610	2.2253	2.2188	1.5610	2.2253	2.2188		1.1036	2.1995	3.0840	2.7869
H11	2.1905	2.4928	2.4928	2.2722	2.9609	2.4810	2.2722	2.9609	2.4810	1.1036		3.1069	3.8087	3.8385
C12	2.9976	3.7127	3.7127	1.5704	2.2646	2.2223	1.5704	2.2646	2.2223	2.1995	3.1069		1.0916	1.0900
H13	4.0607	4.7460	4.7460	2.2641	3.0002	2.4643	2.2641	3.0002	2.4643	3.0840	3.8087	1.0916		1.8111
H14	3.0637	3.7801	3.7801	2.2165	2.4565	3.0719	2.2165	2.4565	3.0719	2.7869	3.8385	1.0900	1.8111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	108.893	N1	C10	C7	108.893
N1	C10	H11	114.860	H2	N1	H3	104.640
H2	N1	C10	110.138	H3	N1	C10	110.138
C4	C10	C7	89.439	C4	C10	H11	115.961
C4	C12	C7	88.760	C4	C12	H13	115.358
C4	C12	H14	111.568	H5	C4	H6	112.885
H5	C4	C10	112.943	H5	C4	C12	115.492
H6	C4	C10	112.303	H6	C4	C12	111.905
C7	C10	H11	115.961	C7	C12	H13	115.358
C7	C12	H14	111.568	H8	C7	H9	112.885
H8	C7	C10	112.943	H8	C7	C12	115.492
H9	C7	C10	112.303	H9	C7	C12	111.905
C10	C4	C12	89.241	C10	C7	C12	89.241
H13	C12	H14	112.234

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HSEh1PBE/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	-0.677
2	H	0.279
3	H	0.279
4	C	-0.383
5	H	0.207
6	H	0.210
7	C	-0.383
8	H	0.207
9	H	0.210
10	C	-0.148
11	H	0.179
12	C	-0.422
13	H	0.200
14	H	0.244

	x	y	z	Total
	-0.181	1.340	0.000	1.352
CHELPG
AIM
ESP

	x	y	z
x	6.862	-0.412	0.000
y	-0.412	6.166	0.000
z	0.000	0.000	6.643

<r²>	112.285
(<r²>)^1/2	10.596

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)