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	hartrees
Energy at 0K	-212.505419
Energy at 298.15K	-212.516389
HF Energy	-212.505419
Nuclear repulsion energy	186.552829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3414	3362	4.70
2	A'	3074	3027	65.76
3	A'	3044	2998	18.57
4	A'	3016	2969	44.96
5	A'	3001	2955	22.56
6	A'	2908	2864	100.21
7	A'	1622	1597	18.88
8	A'	1469	1447	3.70
9	A'	1447	1425	1.99
10	A'	1344	1323	27.34
11	A'	1255	1235	5.52
12	A'	1214	1196	0.20
13	A'	1128	1111	6.41
14	A'	1055	1039	9.65
15	A'	936	922	5.68
16	A'	864	851	3.22
17	A'	826	813	67.77
18	A'	793	781	48.26
19	A'	658	648	1.51
20	A'	398	392	5.36
21	A'	142	140	0.96
22	A"	3497	3443	0.03
23	A"	3051	3005	10.44
24	A"	2997	2951	92.38
25	A"	1438	1416	2.58
26	A"	1310	1290	0.05
27	A"	1244	1225	0.16
28	A"	1233	1214	0.21
29	A"	1196	1178	0.76
30	A"	1145	1127	0.54
31	A"	1010	995	0.10
32	A"	919	905	0.30
33	A"	895	881	1.55
34	A"	750	739	0.20
35	A"	386	380	6.72
36	A"	249	245	25.32

Atom	x (Å)	y (Å)	z (Å)
N1	-1.412	0.930	0.000
H2	-1.709	1.460	0.816
H3	-1.709	1.460	-0.816
C4	0.494	-0.244	-1.083
H5	-0.180	-0.367	-1.936
H6	1.501	-0.024	-1.450
C7	0.494	-0.244	1.083
H8	-0.180	-0.367	1.936
H9	1.501	-0.024	1.450
C10	0.047	0.776	0.000
H11	0.590	1.733	0.000
C12	0.494	-1.356	0.000
H13	1.336	-2.053	0.000
H14	-0.439	-1.922	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0171	1.0171	2.4869	2.6364	3.3911	2.4869	2.6364	3.3911	1.4670	2.1574	2.9760	4.0558	3.0134
H2	1.0171		1.6319	3.3706	3.6401	4.1998	2.7973	2.6327	3.5923	2.0529	2.4543	3.6665	4.7196	3.7033
H3	1.0171	1.6319		2.7973	2.6327	3.5923	3.3706	3.6401	4.1998	2.0529	2.4543	3.6665	4.7196	3.7033
C4	2.4869	3.3706	2.7973		1.0939	1.0941	2.1668	3.0963	2.7355	1.5534	2.2565	1.5524	2.2709	2.2050
H5	2.6364	3.6401	2.6327	1.0939		1.7830	3.0963	3.8723	3.7964	2.2598	2.9589	2.2758	2.9811	2.4966
H6	3.3911	4.1998	3.5923	1.0941	1.7830		2.7355	3.7964	2.9009	2.2041	2.4538	2.2118	2.5003	3.0778
C7	2.4869	2.7973	3.3706	2.1668	3.0963	2.7355		1.0939	1.0941	1.5534	2.2565	1.5524	2.2709	2.2050
H8	2.6364	2.6327	3.6401	3.0963	3.8723	3.7964	1.0939		1.7830	2.2598	2.9589	2.2758	2.9811	2.4966
H9	3.3911	3.5923	4.1998	2.7355	3.7964	2.9009	1.0941	1.7830		2.2041	2.4538	2.2118	2.5003	3.0778
C10	1.4670	2.0529	2.0529	1.5534	2.2598	2.2041	1.5534	2.2598	2.2041		1.1011	2.1777	3.1089	2.7413
H11	2.1574	2.4543	2.4543	2.2565	2.9589	2.4538	2.2565	2.9589	2.4538	1.1011		3.0905	3.8596	3.7977
C12	2.9760	3.6665	3.6665	1.5524	2.2758	2.2118	1.5524	2.2758	2.2118	2.1777	3.0905		1.0932	1.0918
H13	4.0558	4.7196	4.7196	2.2709	2.9811	2.5003	2.2709	2.9811	2.5003	3.1089	3.8596	1.0932		1.7795
H14	3.0134	3.7033	3.7033	2.2050	2.4966	3.0778	2.2050	2.4966	3.0778	2.7413	3.7977	1.0918	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.817	N1	C10	C7	110.817
N1	C10	H11	113.534	H2	N1	H3	106.688
H2	N1	C10	110.151	H3	N1	C10	110.151
C4	C10	C7	88.444	C4	C10	H11	115.382
C4	C12	C7	88.510	C4	C12	H13	117.209
C4	C12	H14	111.823	H5	C4	H6	109.154
H5	C4	C10	116.139	H5	C4	C12	117.578
H6	C4	C10	111.537	H6	C4	C12	112.223
C7	C10	H11	115.382	C7	C12	H13	117.209
C7	C12	H14	111.823	H8	C7	H9	109.154
H8	C7	C10	116.139	H8	C7	C12	117.578
H9	C7	C10	111.537	H9	C7	C12	112.223
C10	C4	C12	89.042	C10	C7	C12	89.042
H13	C12	H14	109.062

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.473
2	H	0.012
3	H	0.012
4	C	-0.478
5	H	0.167
6	H	0.053
7	C	-0.478
8	H	0.167
9	H	0.053
10	C	0.787
11	H	0.135
12	C	-0.204
13	H	0.158
14	H	0.092

	x	y	z	Total
	0.380	1.094	0.000	1.158
CHELPG
AIM
ESP

	x	y	z
x	8.849	-0.558	0.000
y	-0.558	9.104	0.000
z	0.000	0.000	8.889

<r²>	115.226
(<r²>)^1/2	10.734

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)