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	hartrees
Energy at 0K	-211.962419
Energy at 298.15K	-211.973694
HF Energy	-211.142612
Nuclear repulsion energy	187.729375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3599	3353	0.50
2	A'	3237	3016	45.54
3	A'	3205	2986	25.77
4	A'	3171	2954	36.95
5	A'	3151	2935	24.25
6	A'	3091	2879	77.57
7	A'	1713	1596	33.53
8	A'	1563	1456	3.92
9	A'	1533	1429	2.34
10	A'	1435	1337	29.10
11	A'	1341	1249	5.76
12	A'	1273	1186	1.22
13	A'	1202	1120	7.76
14	A'	1119	1042	8.14
15	A'	991	923	6.04
16	A'	924	860	21.39
17	A'	905	843	61.89
18	A'	848	790	61.05
19	A'	688	641	1.93
20	A'	415	387	4.58
21	A'	185	172	1.51
22	A"	3692	3439	1.04
23	A"	3209	2989	12.60
24	A"	3146	2931	70.63
25	A"	1529	1424	1.53
26	A"	1390	1295	0.13
27	A"	1315	1225	0.85
28	A"	1297	1209	0.31
29	A"	1254	1168	0.45
30	A"	1197	1115	0.52
31	A"	1056	984	0.14
32	A"	973	906	0.51
33	A"	949	884	2.41
34	A"	795	741	0.48
35	A"	399	372	11.37
36	A"	284	264	31.97

Atom	x (Å)	y (Å)	z (Å)
N1	-1.447	0.832	0.000
H2	-1.790	1.321	0.817
H3	-1.790	1.321	-0.817
C4	0.521	-0.208	-1.076
H5	-0.120	-0.342	-1.946
H6	1.528	0.042	-1.407
C7	0.521	-0.208	1.076
H8	-0.120	-0.342	1.946
H9	1.528	0.042	1.407
C10	0.014	0.781	0.000
H11	0.489	1.767	0.000
C12	0.521	-1.321	0.000
H13	1.359	-2.014	0.000
H14	-0.409	-1.884	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0124	1.0124	2.4716	2.6317	3.3837	2.4716	2.6317	3.3837	1.4614	2.1494	2.9163	3.9962	2.9073
H2	1.0124		1.6343	3.3557	3.6319	4.1940	2.7827	2.6135	3.6043	2.0529	2.4618	3.6037	4.6589	3.5843
H3	1.0124	1.6343		2.7827	2.6135	3.6043	3.3557	3.6319	4.1940	2.0529	2.4618	3.6037	4.6589	3.5843
C4	2.4716	3.3557	2.7827		1.0885	1.0890	2.1521	3.0920	2.6911	1.5466	2.2489	1.5482	2.2632	2.1978
H5	2.6317	3.6319	2.6135	1.0885		1.7754	3.0920	3.8919	3.7555	2.2507	2.9333	2.2704	2.9610	2.4994
H6	3.3837	4.1940	3.6043	1.0890	1.7754		2.6911	3.7555	2.8140	2.1947	2.4562	2.2026	2.4968	3.0720
C7	2.4716	2.7827	3.3557	2.1521	3.0920	2.6911		1.0885	1.0890	1.5466	2.2489	1.5482	2.2632	2.1978
H8	2.6317	2.6135	3.6319	3.0920	3.8919	3.7555	1.0885		1.7754	2.2507	2.9333	2.2704	2.9610	2.4994
H9	3.3837	3.6043	4.1940	2.6911	3.7555	2.8140	1.0890	1.7754		2.1947	2.4562	2.2026	2.4968	3.0720
C10	1.4614	2.0529	2.0529	1.5466	2.2507	2.1947	1.5466	2.2507	2.1947		1.0944	2.1619	3.1013	2.6978
H11	2.1494	2.4618	2.4618	2.2489	2.9333	2.4562	2.2489	2.9333	2.4562	1.0944		3.0878	3.8791	3.7592
C12	2.9163	3.6037	3.6037	1.5482	2.2704	2.2026	1.5482	2.2704	2.2026	2.1619	3.0878		1.0876	1.0863
H13	3.9962	4.6589	4.6589	2.2632	2.9610	2.4968	2.2632	2.9610	2.4968	3.1013	3.8791	1.0876		1.7724
H14	2.9073	3.5843	3.5843	2.1978	2.4994	3.0720	2.1978	2.4994	3.0720	2.6978	3.7592	1.0863	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	110.475	N1	C10	C7	110.475
N1	C10	H11	113.717	H2	N1	H3	107.641
H2	N1	C10	110.856	H3	N1	C10	110.856
C4	C10	C7	88.176	C4	C10	H11	115.700
C4	C12	C7	88.057	C4	C12	H13	117.249
C4	C12	H14	111.872	H5	C4	H6	109.233
H5	C4	C10	116.244	H5	C4	C12	117.819
H6	C4	C10	111.576	H6	C4	C12	112.099
C7	C10	H11	115.700	C7	C12	H13	117.249
C7	C12	H14	111.872	H8	C7	H9	109.233
H8	C7	C10	116.244	H8	C7	C12	117.819
H9	C7	C10	111.576	H9	C7	C12	112.099
C10	C4	C12	88.625	C10	C7	C12	88.625
H13	C12	H14	109.238

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)