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	hartrees
Energy at 0K	-211.119981
Energy at 298.15K	-211.131436
HF Energy	-211.119981
Nuclear repulsion energy	188.038456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3716	3339	0.62
2	A'	3301	2966	79.20
3	A'	3268	2936	26.07
4	A'	3246	2917	43.83
5	A'	3227	2899	44.02
6	A'	3161	2840	100.59
7	A'	1833	1647	31.21
8	A'	1658	1490	2.83
9	A'	1623	1459	1.63
10	A'	1532	1377	30.27
11	A'	1442	1296	1.52
12	A'	1358	1220	2.97
13	A'	1276	1146	15.28
14	A'	1170	1051	8.71
15	A'	1034	929	15.18
16	A'	975	876	111.80
17	A'	960	863	11.85
18	A'	890	799	24.27
19	A'	732	658	0.84
20	A'	433	389	5.18
21	A'	166	149	1.57
22	A"	3799	3413	0.14
23	A"	3273	2941	18.09
24	A"	3223	2896	86.56
25	A"	1621	1456	0.38
26	A"	1489	1338	1.40
27	A"	1410	1267	0.27
28	A"	1398	1256	0.42
29	A"	1341	1205	0.24
30	A"	1285	1155	0.51
31	A"	1127	1013	0.29
32	A"	1013	910	0.36
33	A"	996	895	2.77
34	A"	835	750	0.48
35	A"	421	378	12.04
36	A"	314	282	37.73

Atom	x (Å)	y (Å)	z (Å)
N1	-1.415	0.892	0.000
H2	-1.727	1.400	0.806
H3	-1.727	1.400	-0.806
C4	0.500	-0.229	-1.076
H5	-0.153	-0.359	-1.932
H6	1.502	-0.004	-1.428
C7	0.500	-0.229	1.076
H8	-0.153	-0.359	1.932
H9	1.502	-0.004	1.428
C10	0.033	0.775	0.000
H11	0.542	1.738	0.000
C12	0.500	-1.337	0.000
H13	1.335	-2.028	0.000
H14	-0.424	-1.900	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0027	1.0027	2.4660	2.6243	3.3682	2.4660	2.6243	3.3682	1.4529	2.1323	2.9383	4.0108	2.9624
H2	1.0027		1.6122	3.3400	3.6146	4.1692	2.7723	2.6147	3.5746	2.0344	2.4315	3.6193	4.6665	3.6384
H3	1.0027	1.6122		2.7723	2.6147	3.5746	3.3400	3.6146	4.1692	2.0344	2.4315	3.6193	4.6665	3.6384
C4	2.4660	3.3400	2.7723		1.0842	1.0850	2.1522	3.0807	2.7064	1.5438	2.2430	1.5444	2.2565	2.1917
H5	2.6243	3.6146	2.6147	1.0842		1.7654	3.0807	3.8635	3.7618	2.2474	2.9347	2.2617	2.9552	2.4862
H6	3.3682	4.1692	3.5746	1.0850	1.7654		2.7064	3.7618	2.8561	2.1909	2.4482	2.1954	2.4832	3.0565
C7	2.4660	2.7723	3.3400	2.1522	3.0807	2.7064		1.0842	1.0850	1.5438	2.2430	1.5444	2.2565	2.1917
H8	2.6243	2.6147	3.6146	3.0807	3.8635	3.7618	1.0842		1.7654	2.2474	2.9347	2.2617	2.9552	2.4862
H9	3.3682	3.5746	4.1692	2.7064	3.7618	2.8561	1.0850	1.7654		2.1909	2.4482	2.1954	2.4832	3.0565
C10	1.4529	2.0344	2.0344	1.5438	2.2474	2.1909	1.5438	2.2474	2.1909		1.0898	2.1625	3.0903	2.7135
H11	2.1323	2.4315	2.4315	2.2430	2.9347	2.4482	2.2430	2.9347	2.4482	1.0898		3.0756	3.8491	3.7644
C12	2.9383	3.6193	3.6193	1.5444	2.2617	2.1954	1.5444	2.2617	2.1954	2.1625	3.0756		1.0839	1.0819
H13	4.0108	4.6665	4.6665	2.2565	2.9552	2.4832	2.2565	2.9552	2.4832	3.0903	3.8491	1.0839		1.7633
H14	2.9624	3.6384	3.6384	2.1917	2.4862	3.0565	2.1917	2.4862	3.0565	2.7135	3.7644	1.0819	1.7633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.715	N1	C10	C7	110.715
N1	C10	H11	113.214	H2	N1	H3	107.008
H2	N1	C10	110.544	H3	N1	C10	110.544
C4	C10	C7	88.380	C4	C10	H11	115.708
C4	C12	C7	88.338	C4	C12	H13	117.224
C4	C12	H14	111.924	H5	C4	H6	108.949
H5	C4	C10	116.465	H5	C4	C12	117.661
H6	C4	C10	111.710	H6	C4	C12	112.033
C7	C10	H11	115.708	C7	C12	H13	117.224
C7	C12	H14	111.924	H8	C7	H9	108.949
H8	C7	C10	116.465	H8	C7	C12	117.661
H9	C7	C10	111.710	H9	C7	C12	112.033
C10	C4	C12	88.893	C10	C7	C12	88.893
H13	C12	H14	109.006

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: HF/6-31G*

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	-0.840
2	H	0.333
3	H	0.333
4	C	-0.319
5	H	0.165
6	H	0.160
7	C	-0.319
8	H	0.165
9	H	0.160
10	C	-0.007
11	H	0.145
12	C	-0.319
13	H	0.159
14	H	0.183

	x	y	z	Total
	0.356	1.331	0.000	1.378
CHELPG	0.334	1.316	0.000	1.358
AIM
ESP	0.345	1.324	0.000	1.368

	x	y	z
x	6.750	-0.478	-0.002
y	-0.478	6.520	-0.002
z	-0.002	-0.002	6.752

<r²>	113.240
(<r²>)^1/2	10.641

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)