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	hartrees
Energy at 0K	-212.448384
Energy at 298.15K	-212.459585
HF Energy	-212.448384
Nuclear repulsion energy	187.909640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3493	3307	0.78
2	A'	3180	3012	39.70
3	A'	3152	2984	22.94
4	A'	3116	2951	29.23
5	A'	3100	2936	14.87
6	A'	3038	2877	85.02
7	A'	1692	1603	25.99
8	A'	1532	1451	4.12
9	A'	1500	1420	2.35
10	A'	1411	1336	24.91
11	A'	1311	1241	5.19
12	A'	1255	1189	2.11
13	A'	1181	1118	9.22
14	A'	1107	1048	8.21
15	A'	989	937	12.01
16	A'	909	861	38.83
17	A'	905	857	64.15
18	A'	840	796	31.78
19	A'	663	628	1.07
20	A'	406	385	4.38
21	A'	183	173	1.58
22	A"	3581	3392	0.10
23	A"	3156	2989	6.53
24	A"	3095	2931	61.37
25	A"	1492	1413	1.30
26	A"	1367	1295	0.19
27	A"	1291	1222	0.79
28	A"	1270	1203	0.11
29	A"	1237	1172	0.42
30	A"	1172	1110	0.92
31	A"	1040	985	0.21
32	A"	965	914	0.57
33	A"	941	891	1.84
34	A"	772	731	1.20
35	A"	398	377	15.63
36	A"	301	285	28.99

Atom	x (Å)	y (Å)	z (Å)
N1	-1.357	0.973	0.000
H2	-1.597	1.572	0.788
H3	-1.597	1.572	-0.788
C4	0.461	-0.264	-1.090
H5	-0.303	-0.359	-1.863
H6	1.457	-0.092	-1.496
C7	0.461	-0.264	1.090
H8	-0.303	-0.359	1.863
H9	1.457	-0.092	1.496
C10	0.091	0.761	0.000
H11	0.679	1.692	0.000
C12	0.461	-1.367	0.000
H13	1.338	-2.015	0.000
H14	-0.470	-1.930	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0184	1.0184	2.4539	2.5211	3.3608	2.4539	2.5211	3.3608	1.4638	2.1589	2.9629	4.0242	3.0352
H2	1.0184		1.5769	3.3360	3.5257	4.1613	2.7736	2.5604	3.5492	2.0318	2.4113	3.6726	4.7011	3.7615
H3	1.0184	1.5769		2.7736	2.5604	3.5492	3.3360	3.5257	4.1613	2.0318	2.4113	3.6726	4.7011	3.7615
C4	2.4539	3.3360	2.7736		1.0910	1.0898	2.1791	3.0510	2.7765	1.5408	2.2490	1.5502	2.2414	2.1975
H5	2.5211	3.5257	2.5604	1.0910		1.8176	3.0510	3.7255	3.8017	2.2092	2.9393	2.2512	2.9842	2.4421
H6	3.3608	4.1613	3.5492	1.0898	1.8176		2.7765	3.8017	2.9926	2.1985	2.4551	2.2035	2.4392	3.0545
C7	2.4539	2.7736	3.3360	2.1791	3.0510	2.7765		1.0910	1.0898	1.5408	2.2490	1.5502	2.2414	2.1975
H8	2.5211	2.5604	3.5257	3.0510	3.7255	3.8017	1.0910		1.8176	2.2092	2.9393	2.2512	2.9842	2.4421
H9	3.3608	3.5492	4.1613	2.7765	3.8017	2.9926	1.0898	1.8176		2.1985	2.4551	2.2035	2.4392	3.0545
C10	1.4638	2.0318	2.0318	1.5408	2.2092	2.1985	1.5408	2.2092	2.1985		1.1004	2.1595	3.0434	2.7488
H11	2.1589	2.4113	2.4113	2.2490	2.9393	2.4551	2.2490	2.9393	2.4551	1.1004		3.0659	3.7648	3.7991
C12	2.9629	3.6726	3.6726	1.5502	2.2512	2.2035	1.5502	2.2512	2.2035	2.1595	3.0659		1.0911	1.0881
H13	4.0242	4.7011	4.7011	2.2414	2.9842	2.4392	2.2414	2.9842	2.4392	3.0434	3.7648	1.0911		1.8106
H14	3.0352	3.7615	3.7615	2.1975	2.4421	3.0545	2.1975	2.4421	3.0545	2.7488	3.7991	1.0881	1.8106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.488	N1	C10	C7	109.488
N1	C10	H11	113.945	H2	N1	H3	101.462
H2	N1	C10	108.542	H3	N1	C10	108.542
C4	C10	C7	90.001	C4	C10	H11	115.747
C4	C12	C7	89.311	C4	C12	H13	115.012
C4	C12	H14	111.598	H5	C4	H6	112.913
H5	C4	C10	113.043	H5	C4	C12	115.842
H6	C4	C10	112.245	H6	C4	C12	111.975
C7	C10	H11	115.747	C7	C12	H13	115.012
C7	C12	H14	111.598	H8	C7	H9	112.913
H8	C7	C10	113.043	H8	C7	C12	115.842
H9	C7	C10	112.245	H9	C7	C12	111.975
C10	C4	C12	88.636	C10	C7	C12	88.636
H13	C12	H14	112.370

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: M06-2X/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	-0.757
2	H	0.312
3	H	0.312
4	C	-0.298
5	H	0.154
6	H	0.150
7	C	-0.298
8	H	0.154
9	H	0.150
10	C	-0.040
11	H	0.132
12	C	-0.302
13	H	0.153
14	H	0.176

	x	y	z	Total
	0.173	1.330	0.000	1.341
CHELPG
AIM
ESP

	x	y	z
x	7.176	-0.494	0.000
y	-0.494	6.728	0.000
z	0.000	0.000	7.013

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)