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	hartrees
Energy at 0K	-212.498013
Energy at 298.15K	-212.509121
Nuclear repulsion energy	187.033934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3470	3348	2.15
2	A'	3145	3035	47.04
3	A'	3115	3006	20.36
4	A'	3078	2971	32.06
5	A'	3061	2954	19.73
6	A'	2961	2857	100.87
7	A'	1636	1579	16.41
8	A'	1473	1421	5.44
9	A'	1439	1388	2.39
10	A'	1374	1326	22.70
11	A'	1282	1237	3.33
12	A'	1232	1189	1.62
13	A'	1159	1118	8.87
14	A'	1092	1054	7.34
15	A'	980	946	8.31
16	A'	893	862	5.17
17	A'	879	848	89.11
18	A'	824	795	23.45
19	A'	663	639	0.69
20	A'	401	386	4.65
21	A'	149	144	1.26
22	A"	3549	3425	0.00
23	A"	3121	3011	7.51
24	A"	3058	2951	72.40
25	A"	1433	1383	2.82
26	A"	1342	1295	0.15
27	A"	1266	1221	0.30
28	A"	1247	1204	0.19
29	A"	1219	1177	0.25
30	A"	1158	1117	0.93
31	A"	1027	992	0.30
32	A"	959	925	0.54
33	A"	928	895	1.57
34	A"	763	736	0.65
35	A"	387	374	9.26
36	A"	284	274	29.43

Atom	x (Å)	y (Å)	z (Å)
N1	-1.428	0.871	0.000
H2	-1.731	1.412	0.812
H3	-1.731	1.412	-0.812
C4	0.506	-0.226	-1.078
H5	-0.152	-0.358	-1.951
H6	1.522	0.011	-1.428
C7	0.506	-0.226	1.078
H8	-0.152	-0.358	1.951
H9	1.522	0.011	1.428
C10	0.028	0.780	0.000
H11	0.546	1.761	0.000
C12	0.506	-1.335	0.000
H13	1.344	-2.048	0.000
H14	-0.440	-1.894	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0222	1.0222	2.4702	2.6350	3.3884	2.4702	2.6350	3.3884	1.4583	2.1650	2.9329	4.0246	2.9355
H2	1.0222		1.6244	3.3555	3.6417	4.1914	2.7852	2.6312	3.5955	2.0379	2.4424	3.6344	4.6994	3.6408
H3	1.0222	1.6244		2.7852	2.6312	3.5955	3.3555	3.6417	4.1914	2.0379	2.4424	3.6344	4.6994	3.6408
C4	2.4702	3.3555	2.7852		1.1010	1.1010	2.1558	3.1024	2.7150	1.5500	2.2611	1.5464	2.2765	2.1996
H5	2.6350	3.6417	2.6312	1.1010		1.7921	3.1024	3.9022	3.7894	2.2657	2.9636	2.2791	2.9833	2.5000
H6	3.3884	4.1914	3.5955	1.1010	1.7921		2.7150	3.7894	2.8568	2.2057	2.4613	2.2100	2.5117	3.0853
C7	2.4702	2.7852	3.3555	2.1558	3.1024	2.7150		1.1010	1.1010	1.5500	2.2611	1.5464	2.2765	2.1996
H8	2.6350	2.6312	3.6417	3.1024	3.9022	3.7894	1.1010		1.7921	2.2657	2.9636	2.2791	2.9833	2.5000
H9	3.3884	3.5955	4.1914	2.7150	3.7894	2.8568	1.1010	1.7921		2.2057	2.4613	2.2100	2.5117	3.0853
C10	1.4583	2.0379	2.0379	1.5500	2.2657	2.2057	1.5500	2.2657	2.2057		1.1094	2.1682	3.1189	2.7146
H11	2.1650	2.4424	2.4424	2.2611	2.9636	2.4613	2.2611	2.9636	2.4613	1.1094		3.0963	3.8915	3.7857
C12	2.9329	3.6344	3.6344	1.5464	2.2791	2.2100	1.5464	2.2791	2.2100	2.1682	3.0963		1.1003	1.0987
H13	4.0246	4.6994	4.6994	2.2765	2.9833	2.5117	2.2765	2.9833	2.5117	3.1189	3.8915	1.1003		1.7908
H14	2.9355	3.6408	3.6408	2.1996	2.5000	3.0853	2.1996	2.5000	3.0853	2.7146	3.7857	1.0987	1.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.362	N1	C10	C7	110.362
N1	C10	H11	114.265	H2	N1	H3	105.219
H2	N1	C10	109.219	H3	N1	C10	109.219
C4	C10	C7	88.125	C4	C10	H11	115.479
C4	C12	C7	88.381	C4	C12	H13	117.676
C4	C12	H14	111.393	H5	C4	H6	108.944
H5	C4	C10	116.430	H5	C4	C12	117.848
H6	C4	C10	111.492	H6	C4	C12	112.090
C7	C10	H11	115.479	C7	C12	H13	117.676
C7	C12	H14	111.393	H8	C7	H9	108.944
H8	C7	C10	116.430	H8	C7	C12	117.848
H9	C7	C10	111.492	H9	C7	C12	112.090
C10	C4	C12	88.893	C10	C7	C12	88.893
H13	C12	H14	109.049

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B3PW91/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	-0.178
2	H	0.086
3	H	0.086
4	C	0.008
5	H	0.023
6	H	0.028
7	C	0.008
8	H	0.023
9	H	0.028
10	C	-0.119
11	H	-0.008
12	C	-0.055
13	H	0.027
14	H	0.044

	x	y	z	Total
	0.145	1.206	0.000	1.215
CHELPG
AIM
ESP

<r²>	113.804
(<r²>)^1/2	10.668

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)