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	hartrees
Energy at 0K	-211.205554
Energy at 298.15K	-211.216957
HF Energy	-211.205554
Nuclear repulsion energy	188.083862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3372	0.10
2	A'	3255	2950	84.72
3	A'	3222	2920	21.18
4	A'	3204	2904	42.80
5	A'	3185	2887	47.02
6	A'	3125	2832	88.21
7	A'	1788	1621	28.47
8	A'	1630	1477	3.63
9	A'	1597	1448	1.97
10	A'	1512	1371	29.05
11	A'	1419	1286	2.82
12	A'	1343	1217	2.11
13	A'	1262	1144	13.20
14	A'	1157	1049	9.34
15	A'	1017	922	4.98
16	A'	951	862	11.39
17	A'	940	852	90.86
18	A'	870	789	40.81
19	A'	725	657	0.95
20	A'	430	390	5.08
21	A'	157	143	1.07
22	A"	3797	3442	1.52
23	A"	3228	2926	18.99
24	A"	3181	2883	93.42
25	A"	1593	1443	1.93
26	A"	1468	1330	0.52
27	A"	1392	1262	0.13
28	A"	1379	1250	0.61
29	A"	1324	1200	0.69
30	A"	1271	1152	0.15
31	A"	1111	1007	0.12
32	A"	1000	906	0.21
33	A"	982	890	2.51
34	A"	822	745	0.14
35	A"	420	381	9.07
36	A"	290	263	29.39

Atom	x (Å)	y (Å)	z (Å)
N1	-1.411	0.901	0.000
H2	-1.718	1.415	0.800
H3	-1.718	1.415	-0.800
C4	0.497	-0.233	-1.075
H5	-0.145	-0.357	-1.937
H6	1.501	-0.014	-1.414
C7	0.497	-0.233	1.075
H8	-0.145	-0.357	1.937
H9	1.501	-0.014	1.414
C10	0.037	0.773	0.000
H11	0.537	1.738	0.000
C12	0.497	-1.340	0.000
H13	1.320	-2.043	0.000
H14	-0.432	-1.888	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		0.9989	0.9989	2.4665	2.6342	3.3639	2.4665	2.6342	3.3639	1.4539	2.1202	2.9436	4.0152	2.9557
H2	0.9989		1.5994	3.3374	3.6202	4.1598	2.7749	2.6285	3.5750	2.0328	2.4146	3.6245	4.6713	3.6332
H3	0.9989	1.5994		2.7749	2.6285	3.5750	3.3374	3.6202	4.1598	2.0328	2.4146	3.6245	4.6713	3.6332
C4	2.4665	3.3374	2.7749		1.0821	1.0821	2.1497	3.0821	2.6926	1.5429	2.2455	1.5429	2.2594	2.1806
H5	2.6342	3.6202	2.6285	1.0821		1.7608	3.0821	3.8742	3.7492	2.2503	2.9336	2.2651	2.9559	2.4854
H6	3.3639	4.1598	3.5750	1.0821	1.7608		2.6926	3.7492	2.8279	2.1820	2.4486	2.1833	2.4796	3.0409
C7	2.4665	2.7749	3.3374	2.1497	3.0821	2.6926		1.0821	1.0821	1.5429	2.2455	1.5429	2.2594	2.1806
H8	2.6342	2.6285	3.6202	3.0821	3.8742	3.7492	1.0821		1.7608	2.2503	2.9336	2.2651	2.9559	2.4854
H9	3.3639	3.5750	4.1598	2.6926	3.7492	2.8279	1.0821	1.7608		2.1820	2.4486	2.1833	2.4796	3.0409
C10	1.4539	2.0328	2.0328	1.5429	2.2503	2.1820	1.5429	2.2503	2.1820		1.0861	2.1631	3.0942	2.7021
H11	2.1202	2.4146	2.4146	2.2455	2.9336	2.4486	2.2455	2.9336	2.4486	1.0861		3.0782	3.8604	3.7526
C12	2.9436	3.6245	3.6245	1.5429	2.2651	2.1833	1.5429	2.2651	2.1833	2.1631	3.0782		1.0815	1.0783
H13	4.0152	4.6713	4.6713	2.2594	2.9559	2.4796	2.2594	2.9559	2.4796	3.0942	3.8604	1.0815		1.7584
H14	2.9557	3.6332	3.6332	2.1806	2.4854	3.0409	2.1806	2.4854	3.0409	2.7021	3.7526	1.0783	1.7584

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.746	N1	C10	C7	110.746
N1	C10	H11	112.366	H2	N1	H3	106.380
H2	N1	C10	110.577	H3	N1	C10	110.577
C4	C10	C7	88.318	C4	C10	H11	116.241
C4	C12	C7	88.318	C4	C12	H13	117.763
C4	C12	H14	111.360	H5	C4	H6	108.898
H5	C4	C10	116.935	H5	C4	C12	118.229
H6	C4	C10	111.242	H6	C4	C12	111.345
C7	C10	H11	116.241	C7	C12	H13	117.763
C7	C12	H14	111.360	H8	C7	H9	108.898
H8	C7	C10	116.935	H8	C7	C12	118.229
H9	C7	C10	111.242	H9	C7	C12	111.345
C10	C4	C12	89.015	C10	C7	C12	89.015
H13	C12	H14	109.001

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/Def2TZVPP

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	-0.451
2	H	0.135
3	H	0.135
4	C	-0.130
5	H	0.042
6	H	0.045
7	C	-0.130
8	H	0.042
9	H	0.045
10	C	0.196
11	H	0.040
12	C	-0.060
13	H	0.042
14	H	0.048

	x	y	z	Total
	0.363	1.184	0.000	1.239
CHELPG
AIM
ESP

	x	y	z
x	7.504	-0.506	0.000
y	-0.506	7.681	0.000
z	0.000	0.000	7.705

<r²>	113.626
(<r²>)^1/2	10.660

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)