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	hartrees
Energy at 0K	-37.540874
Energy at 298.15K	-37.552137
HF Energy	-36.843131
Nuclear repulsion energy	104.958264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3473	3309	2.20
2	A'	3189	3038	41.18
3	A'	3149	3000	36.42
4	A'	3107	2960	43.61
5	A'	3083	2937	24.10
6	A'	3027	2884	91.77
7	A'	1714	1633	35.77
8	A'	1540	1467	3.55
9	A'	1512	1441	2.82
10	A'	1402	1336	21.74
11	A'	1310	1248	7.87
12	A'	1250	1191	1.09
13	A'	1176	1120	12.52
14	A'	1107	1055	6.68
15	A'	983	937	20.21
16	A'	924	881	63.94
17	A'	896	854	22.42
18	A'	851	811	30.84
19	A'	670	638	1.13
20	A'	407	388	4.46
21	A'	208	198	1.70
22	A"	3574	3405	0.00
23	A"	3151	3003	14.13
24	A"	3079	2933	81.35
25	A"	1504	1433	2.03
26	A"	1367	1302	0.01
27	A"	1297	1236	0.92
28	A"	1270	1210	0.21
29	A"	1236	1178	0.51
30	A"	1165	1110	0.95
31	A"	1037	988	0.23
32	A"	958	912	0.42
33	A"	934	890	3.09
34	A"	780	743	0.46
35	A"	392	374	13.79
36	A"	299	284	33.17

Atom	x (Å)	y (Å)	z (Å)
N1	-1.475	0.729	0.000
H2	-1.824	1.233	0.818
H3	-1.824	1.233	-0.818
C4	0.551	-0.186	-1.081
H5	-0.067	-0.327	-1.977
H6	1.570	0.089	-1.378
C7	0.551	-0.186	1.081
H8	-0.067	-0.327	1.977
H9	1.570	0.089	1.378
C10	0.002	0.787	0.000
H11	0.408	1.812	0.000
C12	0.551	-1.310	0.000
H13	1.387	-2.017	0.000
H14	-0.397	-1.853	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0229	1.0229	2.4717	2.6465	3.4031	2.4717	2.6465	3.4031	1.4784	2.1727	2.8739	3.9660	2.7971
H2	1.0229		1.6361	3.3562	3.6516	4.2020	2.7795	2.6205	3.6261	2.0507	2.4473	3.5749	4.6420	3.4972
H3	1.0229	1.6361		2.7795	2.6205	3.6261	3.3562	3.6516	4.2020	2.0507	2.4473	3.5749	4.6420	3.4972
C4	2.4717	3.3562	2.7795		1.0965	1.0965	2.1629	3.1229	2.6762	1.5548	2.2763	1.5600	2.2855	2.2015
H5	2.6465	3.6516	2.6205	1.0965		1.7919	3.1229	3.9531	3.7554	2.2700	2.9509	2.2922	2.9793	2.5187
H6	3.4031	4.2020	3.6261	1.0965	1.7919		2.6762	3.7554	2.7554	2.2012	2.4939	2.2120	2.5233	3.0882
C7	2.4717	2.7795	3.3562	2.1629	3.1229	2.6762		1.0965	1.0965	1.5548	2.2763	1.5600	2.2855	2.2015
H8	2.6465	2.6205	3.6516	3.1229	3.9531	3.7554	1.0965		1.7919	2.2700	2.9509	2.2922	2.9793	2.5187
H9	3.4031	3.6261	4.2020	2.6762	3.7554	2.7554	1.0965	1.7919		2.2012	2.4939	2.2120	2.5233	3.0882
C10	1.4784	2.0507	2.0507	1.5548	2.2700	2.2012	1.5548	2.2700	2.2012		1.1023	2.1679	3.1278	2.6700
H11	2.1727	2.4473	2.4473	2.2763	2.9509	2.4939	2.2763	2.9509	2.4939	1.1023		3.1254	3.9527	3.7523
C12	2.8739	3.5749	3.5749	1.5600	2.2922	2.2120	1.5600	2.2922	2.2120	2.1679	3.1254		1.0950	1.0923
H13	3.9660	4.6420	4.6420	2.2855	2.9793	2.5233	2.2855	2.9793	2.5233	3.1278	3.9527	1.0950		1.7913
H14	2.7971	3.4972	3.4972	2.2015	2.5187	3.0882	2.2015	2.5187	3.0882	2.6700	3.7523	1.0923	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.125	N1	C10	C7	109.125
N1	C10	H11	113.889	H2	N1	H3	106.209
H2	N1	C10	108.772	H3	N1	C10	108.772
C4	C10	C7	88.147	C4	C10	H11	116.868
C4	C12	C7	87.776	C4	C12	H13	117.753
C4	C12	H14	110.979	H5	C4	H6	109.587
H5	C4	C10	116.726	H5	C4	C12	118.235
H6	C4	C10	111.065	H6	C4	C12	111.563
C7	C10	H11	116.868	C7	C12	H13	117.753
C7	C12	H14	110.979	H8	C7	H9	109.587
H8	C7	C10	116.726	H8	C7	C12	118.235
H9	C7	C10	111.065	H9	C7	C12	111.563
C10	C4	C12	88.214	C10	C7	C12	88.214
H13	C12	H14	109.962

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: MP2/CEP-121G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)