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	hartrees
Energy at 0K	-212.396455
Energy at 298.15K	-212.390132
HF Energy	-212.577393
Nuclear repulsion energy	186.714652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3474	3353	1.55
2	A'	3131	3021	55.83
3	A'	3102	2993	17.34
4	A'	3072	2965	34.93
5	A'	3057	2950	18.61
6	A'	2963	2859	92.64
7	A'	1654	1596	16.96
8	A'	1498	1446	3.01
9	A'	1475	1423	1.49
10	A'	1383	1335	25.89
11	A'	1292	1247	2.06
12	A'	1241	1197	1.09
13	A'	1159	1118	7.79
14	A'	1086	1048	8.80
15	A'	967	933	8.96
16	A'	887	855	6.66
17	A'	862	831	87.77
18	A'	821	792	28.28
19	A'	668	645	0.68
20	A'	400	386	4.68
21	A'	145	140	1.20
22	A"	3552	3428	0.00
23	A"	3107	2999	8.70
24	A"	3053	2946	71.43
25	A"	1467	1415	0.93
26	A"	1347	1300	0.62
27	A"	1275	1230	0.04
28	A"	1263	1218	0.33
29	A"	1225	1183	0.33
30	A"	1171	1130	0.73
31	A"	1031	995	0.28
32	A"	942	909	0.37
33	A"	917	885	1.38
34	A"	764	737	0.61
35	A"	389	375	7.99
36	A"	270	261	27.20

Atom	x (Å)	y (Å)	z (Å)
N1	-1.416	0.910	0.000
H2	-1.713	1.444	0.813
H3	-1.713	1.444	-0.813
C4	0.498	-0.238	-1.084
H5	-0.169	-0.364	-1.941
H6	1.505	-0.014	-1.447
C7	0.498	-0.238	1.084
H8	-0.169	-0.364	1.941
H9	1.505	-0.014	1.447
C10	0.040	0.779	0.000
H11	0.573	1.742	0.000
C12	0.498	-1.350	0.000
H13	1.334	-2.053	0.000
H14	-0.438	-1.913	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0167	1.0167	2.4808	2.6355	3.3881	2.4808	2.6355	3.3881	1.4624	2.1561	2.9614	4.0423	2.9873
H2	1.0167		1.6259	3.3632	3.6380	4.1934	2.7905	2.6312	3.5889	2.0437	2.4443	3.6540	4.7083	3.6812
H3	1.0167	1.6259		2.7905	2.6312	3.5889	3.3632	3.6380	4.1934	2.0437	2.4443	3.6540	4.7083	3.6812
C4	2.4808	3.3632	2.7905		1.0932	1.0937	2.1674	3.0998	2.7326	1.5546	2.2582	1.5529	2.2732	2.2032
H5	2.6355	3.6380	2.6312	1.0932		1.7799	3.0998	3.8819	3.7946	2.2619	2.9583	2.2769	2.9796	2.4977
H6	3.3881	4.1934	3.5889	1.0937	1.7799		2.7326	3.7946	2.8932	2.2059	2.4586	2.2118	2.5056	3.0774
C7	2.4808	2.7905	3.3632	2.1674	3.0998	2.7326		1.0932	1.0937	1.5546	2.2582	1.5529	2.2732	2.2032
H8	2.6355	2.6312	3.6380	3.0998	3.8819	3.7946	1.0932		1.7799	2.2619	2.9583	2.2769	2.9796	2.4977
H9	3.3881	3.5889	4.1934	2.7326	3.7946	2.8932	1.0937	1.7799		2.2059	2.4586	2.2118	2.5056	3.0774
C10	1.4624	2.0437	2.0437	1.5546	2.2619	2.2059	1.5546	2.2619	2.2059		1.1007	2.1772	3.1129	2.7333
H11	2.1561	2.4443	2.4443	2.2582	2.9583	2.4586	2.2582	2.9583	2.4586	1.1007		3.0928	3.8702	3.7916
C12	2.9614	3.6540	3.6540	1.5529	2.2769	2.2118	1.5529	2.2769	2.2118	2.1772	3.0928		1.0924	1.0914
H13	4.0423	4.7083	4.7083	2.2732	2.9796	2.5056	2.2732	2.9796	2.5056	3.1129	3.8702	1.0924		1.7771
H14	2.9873	3.6812	3.6812	2.2032	2.4977	3.0774	2.2032	2.4977	3.0774	2.7333	3.7916	1.0914	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.622	N1	C10	C7	110.622
N1	C10	H11	113.688	H2	N1	H3	106.943
H2	N1	C10	110.347	H3	N1	C10	110.347
C4	C10	C7	88.360	C4	C10	H11	115.504
C4	C12	C7	88.407	C4	C12	H13	117.404
C4	C12	H14	111.751	H5	C4	H6	108.895
H5	C4	C10	116.365	H5	C4	C12	117.817
H6	C4	C10	111.594	H6	C4	C12	112.092
C7	C10	H11	115.504	C7	C12	H13	117.404
C7	C12	H14	111.751	H8	C7	H9	108.895
H8	C7	C10	116.365	H8	C7	C12	117.817
H9	C7	C10	111.594	H9	C7	C12	112.092
C10	C4	C12	88.960	C10	C7	C12	88.960
H13	C12	H14	108.928

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: G4

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	-0.512
2	H	0.221
3	H	0.221
4	C	-0.197
5	H	0.092
6	H	0.093
7	C	-0.197
8	H	0.092
9	H	0.093
10	C	0.035
11	H	0.045
12	C	-0.190
13	H	0.090
14	H	0.113

	x	y	z	Total
	0.238	1.125	0.000	1.150
CHELPG
AIM
ESP

<r²>	114.360
(<r²>)^1/2	10.694

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)