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	hartrees
Energy at 0K	-211.160606
Energy at 298.15K	-211.172061
Nuclear repulsion energy	187.967020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3732	3375	1.59
2	A'	3274	2961	100.29
3	A'	3238	2928	33.45
4	A'	3220	2912	48.49
5	A'	3199	2893	55.54
6	A'	3138	2838	106.45
7	A'	1851	1674	37.33
8	A'	1645	1488	3.07
9	A'	1611	1457	1.70
10	A'	1522	1377	26.77
11	A'	1428	1292	2.63
12	A'	1353	1223	3.13
13	A'	1270	1149	16.20
14	A'	1165	1053	7.80
15	A'	1028	930	15.96
16	A'	973	880	110.94
17	A'	955	864	7.31
18	A'	883	799	22.79
19	A'	729	659	0.61
20	A'	432	390	5.27
21	A'	163	148	1.42
22	A"	3803	3440	0.03
23	A"	3243	2933	22.15
24	A"	3195	2890	103.90
25	A"	1608	1454	1.43
26	A"	1482	1340	0.77
27	A"	1399	1266	0.33
28	A"	1386	1253	0.31
29	A"	1336	1209	0.27
30	A"	1279	1157	0.54
31	A"	1123	1015	0.30
32	A"	1004	908	0.31
33	A"	989	894	3.03
34	A"	829	750	0.23
35	A"	420	379	11.68
36	A"	310	281	37.01

Atom	x (Å)	y (Å)	z (Å)
N1	-1.412	0.902	0.000
H2	-1.717	1.411	0.804
H3	-1.717	1.411	-0.804
C4	0.498	-0.233	-1.077
H5	-0.157	-0.361	-1.931
H6	1.498	-0.010	-1.434
C7	0.498	-0.233	1.077
H8	-0.157	-0.361	1.931
H9	1.498	-0.010	1.434
C10	0.036	0.773	0.000
H11	0.549	1.734	0.000
C12	0.498	-1.341	0.000
H13	1.332	-2.033	0.000
H14	-0.425	-1.905	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		0.9996	0.9996	2.4688	2.6263	3.3697	2.4688	2.6263	3.3697	1.4533	2.1304	2.9459	4.0177	2.9754
H2	0.9996		1.6082	3.3391	3.6132	4.1674	2.7723	2.6165	3.5715	2.0316	2.4269	3.6234	4.6699	3.6488
H3	0.9996	1.6082		2.7723	2.6165	3.5715	3.3391	3.6132	4.1674	2.0316	2.4269	3.6234	4.6699	3.6488
C4	2.4688	3.3391	2.7723		1.0840	1.0850	2.1537	3.0807	2.7117	1.5445	2.2429	1.5451	2.2573	2.1925
H5	2.6263	3.6132	2.6165	1.0840		1.7638	3.0807	3.8611	3.7661	2.2477	2.9357	2.2618	2.9561	2.4860
H6	3.3697	4.1674	3.5715	1.0850	1.7638		2.7117	3.7661	2.8677	2.1926	2.4489	2.1971	2.4851	3.0568
C7	2.4688	2.7723	3.3391	2.1537	3.0807	2.7117		1.0840	1.0850	1.5445	2.2429	1.5451	2.2573	2.1925
H8	2.6263	2.6165	3.6132	3.0807	3.8611	3.7661	1.0840		1.7638	2.2477	2.9357	2.2618	2.9561	2.4860
H9	3.3697	3.5715	4.1674	2.7117	3.7661	2.8677	1.0850	1.7638		2.1926	2.4489	2.1971	2.4851	3.0568
C10	1.4533	2.0316	2.0316	1.5445	2.2477	2.1926	1.5445	2.2477	2.1926		1.0894	2.1640	3.0911	2.7174
H11	2.1304	2.4269	2.4269	2.2429	2.9357	2.4489	2.2429	2.9357	2.4489	1.0894		3.0753	3.8474	3.7670
C12	2.9459	3.6234	3.6234	1.5451	2.2618	2.1971	1.5451	2.2618	2.1971	2.1640	3.0753		1.0837	1.0816
H13	4.0177	4.6699	4.6699	2.2573	2.9561	2.4851	2.2573	2.9561	2.4851	3.0911	3.8474	1.0837		1.7614
H14	2.9754	3.6488	3.6488	2.1925	2.4860	3.0568	2.1925	2.4860	3.0568	2.7174	3.7670	1.0816	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.844	N1	C10	C7	110.844
N1	C10	H11	113.046	H2	N1	H3	107.104
H2	N1	C10	110.469	H3	N1	C10	110.469
C4	C10	C7	88.408	C4	C10	H11	115.681
C4	C12	C7	88.364	C4	C12	H13	117.258
C4	C12	H14	111.961	H5	C4	H6	108.817
H5	C4	C10	116.460	H5	C4	C12	117.626
H6	C4	C10	111.804	H6	C4	C12	112.126
C7	C10	H11	115.681	C7	C12	H13	117.258
C7	C12	H14	111.961	H8	C7	H9	108.817
H8	C7	C10	116.460	H8	C7	C12	117.626
H9	C7	C10	111.804	H9	C7	C12	112.126
C10	C4	C12	88.924	C10	C7	C12	88.924
H13	C12	H14	108.878

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	N	-0.838	-0.987	-0.963
2	H	0.329	0.347	0.339
3	H	0.329	0.347	0.339
4	C	-0.404	-0.229	-0.296
5	H	0.208	0.060	0.082
6	H	0.208	0.040	0.063
7	C	-0.404	-0.229	-0.296
8	H	0.208	0.060	0.082
9	H	0.208	0.040	0.063
10	C	-0.054	0.566	0.584
11	H	0.187	-0.117	-0.113
12	C	-0.402	0.133	0.122
13	H	0.204	-0.024	-0.008
14	H	0.223	-0.009	0.001

	x	y	z	Total
	0.349	1.327	0.000	1.372
CHELPG
AIM
ESP	0.340	1.315	0.000	1.358

	x	y	z
x	7.015	-0.493	0.000
y	-0.493	7.022	0.000
z	0.000	0.000	7.203

<r²>	113.557
(<r²>)^1/2	10.656

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)