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	hartrees
Energy at 0K	-211.275896
Energy at 298.15K	-211.287069
Nuclear repulsion energy	187.593856

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3428	3280	2.95
2	A'	3208	3069	25.67
3	A'	3167	3029	20.93
4	A'	3130	2995	27.14
5	A'	3105	2970	19.18
6	A'	3005	2875	93.80
7	A'	1709	1635	17.50
8	A'	1535	1468	6.17
9	A'	1505	1440	7.31
10	A'	1383	1323	16.57
11	A'	1291	1236	16.22
12	A'	1250	1196	0.79
13	A'	1149	1099	1.86
14	A'	1078	1031	7.11
15	A'	953	912	2.07
16	A'	908	869	2.95
17	A'	875	837	2.36
18	A'	707	677	141.67
19	A'	644	616	46.36
20	A'	399	382	4.13
21	A'	217	208	2.42
22	A"	3532	3379	0.13
23	A"	3168	3031	12.48
24	A"	3099	2965	47.09
25	A"	1506	1441	4.58
26	A"	1347	1289	0.03
27	A"	1310	1254	2.43
28	A"	1282	1227	0.02
29	A"	1228	1175	1.81
30	A"	1161	1111	1.54
31	A"	1068	1022	0.00
32	A"	924	884	0.92
33	A"	913	874	2.73
34	A"	787	753	0.76
35	A"	394	377	12.82
36	A"	288	276	37.28

Atom	x (Å)	y (Å)	z (Å)
N1	-1.484	0.638	0.000
H2	-1.925	1.023	0.838
H3	-1.925	1.023	-0.838
C4	0.558	-0.139	-1.083
H5	-0.046	-0.289	-1.978
H6	1.579	0.153	-1.343
C7	0.558	-0.139	1.083
H8	-0.046	-0.289	1.978
H9	1.579	0.153	1.343
C10	-0.029	0.819	0.000
H11	0.332	1.858	0.000
C12	0.558	-1.266	0.000
H13	1.383	-1.977	0.000
H14	-0.410	-1.764	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0220	1.0220	2.4388	2.6158	3.3792	2.4388	2.6158	3.3792	1.4665	2.1879	2.7919	3.8808	2.6313
H2	1.0220		1.6759	3.3473	3.6309	4.2171	2.7520	2.5598	3.6447	2.0824	2.5474	3.4792	4.5438	3.2811
H3	1.0220	1.6759		2.7520	2.5598	3.6447	3.3473	3.6309	4.2171	2.0824	2.5474	3.4792	4.5438	3.2811
C4	2.4388	3.3473	2.7520		1.0902	1.0928	2.1665	3.1243	2.6481	1.5611	2.2831	1.5631	2.2876	2.1797
H5	2.6158	3.6309	2.5598	1.0902		1.7996	3.1243	3.9570	3.7235	2.2681	2.9440	2.2876	2.9675	2.4945
H6	3.3792	4.2171	3.6447	1.0928	1.7996		2.6481	3.7235	2.6854	2.1982	2.5030	2.2040	2.5255	3.0711
C7	2.4388	2.7520	3.3473	2.1665	3.1243	2.6481		1.0902	1.0928	1.5611	2.2831	1.5631	2.2876	2.1797
H8	2.6158	2.5598	3.6309	3.1243	3.9570	3.7235	1.0902		1.7996	2.2681	2.9440	2.2876	2.9675	2.4945
H9	3.3792	3.6447	4.2171	2.6481	3.7235	2.6854	1.0928	1.7996		2.1982	2.5030	2.2040	2.5255	3.0711
C10	1.4665	2.0824	2.0824	1.5611	2.2681	2.1982	1.5611	2.2681	2.1982		1.0992	2.1667	3.1332	2.6117
H11	2.1879	2.5474	2.5474	2.2831	2.9440	2.5030	2.2831	2.9440	2.5030	1.0992		3.1321	3.9767	3.6973
C12	2.7919	3.4792	3.4792	1.5631	2.2876	2.2040	1.5631	2.2876	2.2040	2.1667	3.1321		1.0895	1.0885
H13	3.8808	4.5438	4.5438	2.2876	2.9675	2.5255	2.2876	2.9675	2.5255	3.1332	3.9767	1.0895		1.8058
H14	2.6313	3.2811	3.2811	2.1797	2.4945	3.0711	2.1797	2.4945	3.0711	2.6117	3.6973	1.0885	1.8058

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	107.275	N1	C10	C7	107.275
N1	C10	H11	116.285	H2	N1	H3	110.148
H2	N1	C10	112.373	H3	N1	C10	112.373
C4	C10	C7	87.878	C4	C10	H11	117.171
C4	C12	C7	87.734	C4	C12	H13	118.072
C4	C12	H14	109.267	H5	C4	H6	111.044
H5	C4	C10	116.494	H5	C4	C12	118.018
H6	C4	C10	110.604	H6	C4	C12	110.924
C7	C10	H11	117.171	C7	C12	H13	118.072
C7	C12	H14	109.267	H8	C7	H9	111.044
H8	C7	C10	116.494	H8	C7	C12	118.018
H9	C7	C10	110.604	H9	C7	C12	110.924
C10	C4	C12	87.815	C10	C7	C12	87.815
H13	C12	H14	112.014

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: B1B95/3-21G

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	-0.663
2	H	0.275
3	H	0.275
4	C	-0.369
5	H	0.200
6	H	0.204
7	C	-0.369
8	H	0.200
9	H	0.204
10	C	-0.152
11	H	0.174
12	C	-0.410
13	H	0.193
14	H	0.240

	x	y	z	Total
	-0.262	1.332	0.000	1.357
CHELPG
AIM
ESP

	x	y	z
x	6.917	-0.384	0.000
y	-0.384	6.167	0.000
z	0.000	0.000	6.675

<r²>	111.418
(<r²>)^1/2	10.555

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)