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	hartrees
Energy at 0K	-212.523619
Energy at 298.15K	-212.534767
Nuclear repulsion energy	187.455321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3496	3350	1.61
2	A'	3165	3033	44.45
3	A'	3135	3004	20.98
4	A'	3097	2968	31.20
5	A'	3079	2951	19.26
6	A'	2984	2859	97.96
7	A'	1645	1576	17.28
8	A'	1481	1419	5.80
9	A'	1446	1386	2.55
10	A'	1385	1327	22.65
11	A'	1292	1238	3.51
12	A'	1240	1188	1.89
13	A'	1168	1119	9.20
14	A'	1100	1054	7.06
15	A'	987	946	7.84
16	A'	900	863	4.70
17	A'	887	850	86.62
18	A'	831	796	27.11
19	A'	665	637	0.73
20	A'	402	386	4.63
21	A'	155	149	1.29
22	A"	3576	3427	0.06
23	A"	3140	3009	7.50
24	A"	3076	2947	70.47
25	A"	1441	1381	2.98
26	A"	1352	1296	0.12
27	A"	1274	1221	0.36
28	A"	1255	1202	0.18
29	A"	1227	1176	0.27
30	A"	1164	1116	0.88
31	A"	1033	990	0.29
32	A"	967	926	0.58
33	A"	935	896	1.59
34	A"	768	736	0.67
35	A"	390	374	9.57
36	A"	286	274	29.12

Atom	x (Å)	y (Å)	z (Å)
N1	-1.431	0.852	0.000
H2	-1.742	1.386	0.811
H3	-1.742	1.386	-0.811
C4	0.509	-0.220	-1.075
H5	-0.142	-0.352	-1.951
H6	1.525	0.022	-1.419
C7	0.509	-0.220	1.075
H8	-0.142	-0.352	1.951
H9	1.525	0.022	1.419
C10	0.023	0.780	0.000
H11	0.527	1.766	0.000
C12	0.509	-1.327	0.000
H13	1.345	-2.039	0.000
H14	-0.436	-1.884	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0203	1.0203	2.4632	2.6297	3.3825	2.4632	2.6297	3.3825	1.4555	2.1611	2.9172	4.0082	2.9102
H2	1.0203		1.6227	3.3475	3.6347	4.1847	2.7777	2.6229	3.5924	2.0347	2.4393	3.6177	4.6825	3.6131
H3	1.0203	1.6227		2.7777	2.6229	3.5924	3.3475	3.6347	4.1847	2.0347	2.4393	3.6177	4.6825	3.6131
C4	2.4632	3.3475	2.7777		1.0994	1.0994	2.1506	3.0984	2.7044	1.5467	2.2584	1.5437	2.2732	2.1952
H5	2.6297	3.6347	2.6229	1.0994		1.7897	3.0984	3.9018	3.7787	2.2618	2.9567	2.2761	2.9776	2.4975
H6	3.3825	4.1847	3.5924	1.0994	1.7897		2.7044	3.7787	2.8386	2.2015	2.4606	2.2058	2.5089	3.0809
C7	2.4632	2.7777	3.3475	2.1506	3.0984	2.7044		1.0994	1.0994	1.5467	2.2584	1.5437	2.2732	2.1952
H8	2.6297	2.6229	3.6347	3.0984	3.9018	3.7787	1.0994		1.7897	2.2618	2.9567	2.2761	2.9776	2.4975
H9	3.3825	3.5924	4.1847	2.7044	3.7787	2.8386	1.0994	1.7897		2.2015	2.4606	2.2058	2.5089	3.0809
C10	1.4555	2.0347	2.0347	1.5467	2.2618	2.2015	1.5467	2.2618	2.2015		1.1075	2.1626	3.1144	2.7030
H11	2.1611	2.4393	2.4393	2.2584	2.9567	2.4606	2.2584	2.9567	2.4606	1.1075		3.0934	3.8927	3.7748
C12	2.9172	3.6177	3.6177	1.5437	2.2761	2.2058	1.5437	2.2761	2.2058	2.1626	3.0934		1.0986	1.0971
H13	4.0082	4.6825	4.6825	2.2732	2.9776	2.5089	2.2732	2.9776	2.5089	3.1144	3.8927	1.0986		1.7886
H14	2.9102	3.6131	3.6131	2.1952	2.4975	3.0809	2.1952	2.4975	3.0809	2.7030	3.7748	1.0971	1.7886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.225	N1	C10	C7	110.225
N1	C10	H11	114.267	H2	N1	H3	105.350
H2	N1	C10	109.274	H3	N1	C10	109.274
C4	C10	C7	88.093	C4	C10	H11	115.621
C4	C12	C7	88.311	C4	C12	H13	117.724
C4	C12	H14	111.340	H5	C4	H6	108.960
H5	C4	C10	116.448	H5	C4	C12	117.919
H6	C4	C10	111.484	H6	C4	C12	112.046
C7	C10	H11	115.621	C7	C12	H13	117.724
C7	C12	H14	111.340	H8	C7	H9	108.960
H8	C7	C10	116.448	H8	C7	C12	117.919
H9	C7	C10	111.484	H9	C7	C12	112.046
C10	C4	C12	88.821	C10	C7	C12	88.821
H13	C12	H14	109.100

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: mPW1PW91/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	-0.179
2	H	0.086
3	H	0.086
4	C	0.008
5	H	0.024
6	H	0.029
7	C	0.008
8	H	0.024
9	H	0.029
10	C	-0.122
11	H	-0.007
12	C	-0.056
13	H	0.027
14	H	0.045

	x	y	z	Total
	0.132	1.211	0.000	1.218
CHELPG
AIM
ESP

<r²>	113.278
(<r²>)^1/2	10.643

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)