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	hartrees
Energy at 0K	-36.740053
Energy at 298.15K	-36.751347
Nuclear repulsion energy	104.510857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3772	3400	0.18
2	A'	3327	2999	173.64
3	A'	3291	2966	34.39
4	A'	3258	2937	54.45
5	A'	3234	2915	82.86
6	A'	3175	2862	119.92
7	A'	1824	1644	44.26
8	A'	1644	1482	4.26
9	A'	1616	1456	2.80
10	A'	1512	1363	31.01
11	A'	1434	1293	3.49
12	A'	1345	1212	2.14
13	A'	1259	1135	10.72
14	A'	1162	1048	10.56
15	A'	1023	922	0.55
16	A'	954	860	5.45
17	A'	901	812	14.13
18	A'	767	691	93.68
19	A'	713	643	169.42
20	A'	432	389	7.07
21	A'	144	130	1.24
22	A"	3898	3514	1.40
23	A"	3299	2973	18.59
24	A"	3233	2914	135.51
25	A"	1613	1454	3.62
26	A"	1468	1323	1.75
27	A"	1417	1278	0.09
28	A"	1390	1253	1.83
29	A"	1323	1193	1.60
30	A"	1275	1149	0.15
31	A"	1112	1003	0.02
32	A"	1027	925	1.51
33	A"	989	891	4.93
34	A"	837	754	0.21
35	A"	416	375	7.64
36	A"	265	239	41.45

Atom	x (Å)	y (Å)	z (Å)
N1	-1.382	0.973	0.000
H2	-1.757	1.387	0.833
H3	-1.757	1.387	-0.833
C4	0.498	-0.257	-1.093
H5	-0.192	-0.377	-1.924
H6	1.494	-0.057	-1.485
C7	0.498	-0.257	1.093
H8	-0.192	-0.377	1.924
H9	1.494	-0.057	1.485
C10	0.074	0.774	0.000
H11	0.628	1.716	0.000
C12	0.498	-1.377	0.000
H13	1.342	-2.064	0.000
H14	-0.424	-1.951	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0033	1.0033	2.4989	2.6345	3.3976	2.4989	2.6345	3.3976	1.4703	2.1431	3.0098	4.0794	3.0773
H2	1.0033		1.6666	3.3915	3.6284	4.2469	2.8034	2.5985	3.6173	2.1037	2.5477	3.6638	4.7125	3.6904
H3	1.0033	1.6666		2.8034	2.5985	3.6173	3.3915	3.6284	4.2469	2.1037	2.5477	3.6638	4.7125	3.6904
C4	2.4989	3.3915	2.8034		1.0870	1.0894	2.1860	3.0972	2.7715	1.5615	2.2595	1.5647	2.2735	2.2166
H5	2.6345	3.6284	2.5985	1.0870		1.7720	3.0972	3.8477	3.8172	2.2580	2.9590	2.2754	2.9830	2.4963
H6	3.3976	4.2469	3.6173	1.0894	1.7720		2.7715	3.8172	2.9709	2.2167	2.4700	2.2229	2.5011	3.0778
C7	2.4989	2.8034	3.3915	2.1860	3.0972	2.7715		1.0870	1.0894	1.5615	2.2595	1.5647	2.2735	2.2166
H8	2.6345	2.5985	3.6284	3.0972	3.8477	3.8172	1.0870		1.7720	2.2580	2.9590	2.2754	2.9830	2.4963
H9	3.3976	3.6173	4.2469	2.7715	3.8172	2.9709	1.0894	1.7720		2.2167	2.4700	2.2229	2.5011	3.0778
C10	1.4703	2.1037	2.1037	1.5615	2.2580	2.2167	1.5615	2.2580	2.2167		1.0922	2.1926	3.1079	2.7706
H11	2.1431	2.5477	2.5477	2.2595	2.9590	2.4700	2.2595	2.9590	2.4700	1.0922		3.0957	3.8463	3.8148
C12	3.0098	3.6638	3.6638	1.5647	2.2754	2.2229	1.5647	2.2754	2.2229	2.1926	3.0957		1.0877	1.0859
H13	4.0794	4.7125	4.7125	2.2735	2.9830	2.5011	2.2735	2.9830	2.5011	3.1079	3.8463	1.0877		1.7690
H14	3.0773	3.6904	3.6904	2.2166	2.4963	3.0778	2.2166	2.4963	3.0778	2.7706	3.8148	1.0859	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.985	N1	C10	C7	110.985
N1	C10	H11	112.672	H2	N1	H3	112.310
H2	N1	C10	115.215	H3	N1	C10	115.215
C4	C10	C7	88.849	C4	C10	H11	115.601
C4	C12	C7	88.617	C4	C12	H13	116.848
C4	C12	H14	112.230	H5	C4	H6	109.018
H5	C4	C10	115.825	H5	C4	C12	117.062
H6	C4	C10	112.264	H6	C4	C12	112.531
C7	C10	H11	115.601	C7	C12	H13	116.848
C7	C12	H14	112.230	H8	C7	H9	109.018
H8	C7	C10	115.825	H8	C7	C12	117.062
H9	C7	C10	112.264	H9	C7	C12	112.531
C10	C4	C12	89.072	C10	C7	C12	89.072
H13	C12	H14	108.950

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/CEP-31G

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	-0.697
2	H	0.270
3	H	0.270
4	C	-0.234
5	H	0.120
6	H	0.091
7	C	-0.234
8	H	0.120
9	H	0.091
10	C	0.024
11	H	0.142
12	C	-0.189
13	H	0.117
14	H	0.109

	x	y	z	Total
	0.389	1.248	0.000	1.307
CHELPG
AIM
ESP

	x	y	z
x	6.365	-0.490	0.000
y	-0.490	6.590	0.000
z	0.000	0.000	6.992

<r²>	98.646
(<r²>)^1/2	9.932

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)