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	hartrees
Energy at 0K	-211.996025
Energy at 298.15K	-212.007276
HF Energy	-211.147679
Nuclear repulsion energy	188.232192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3341	0.15
2	A'	3225	3046	22.47
3	A'	3191	3014	17.94
4	A'	3148	2973	26.13
5	A'	3126	2953	11.47
6	A'	3061	2891	68.36
7	A'	1670	1577	21.36
8	A'	1523	1438	4.14
9	A'	1495	1412	2.47
10	A'	1405	1327	21.79
11	A'	1301	1229	5.79
12	A'	1258	1188	1.30
13	A'	1177	1112	7.26
14	A'	1112	1050	8.28
15	A'	993	938	11.59
16	A'	917	866	29.72
17	A'	898	848	38.83
18	A'	849	802	48.83
19	A'	664	627	1.13
20	A'	403	381	4.48
21	A'	203	191	1.63
22	A"	3634	3433	2.09
23	A"	3194	3016	8.29
24	A"	3122	2949	46.62
25	A"	1488	1405	1.60
26	A"	1363	1287	0.07
27	A"	1289	1218	0.55
28	A"	1271	1200	0.09
29	A"	1240	1171	0.70
30	A"	1174	1108	0.76
31	A"	1045	987	0.14
32	A"	964	910	0.49
33	A"	942	889	1.83
34	A"	785	741	0.90
35	A"	391	369	10.71
36	A"	290	274	26.19

Atom	x (Å)	y (Å)	z (Å)
N1	-1.475	0.717	0.000
H2	-1.835	1.213	0.810
H3	-1.835	1.213	-0.810
C4	0.542	-0.171	-1.072
H5	-0.060	-0.313	-1.970
H6	1.558	0.109	-1.356
C7	0.542	-0.171	1.072
H8	-0.060	-0.313	1.970
H9	1.558	0.109	1.356
C10	-0.017	0.791	0.000
H11	0.381	1.813	0.000
C12	0.542	-1.287	0.000
H13	1.369	-1.995	0.000
H14	-0.404	-1.825	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0152	1.0152	2.4511	2.6354	3.3780	2.4511	2.6354	3.3780	1.4598	2.1559	2.8432	3.9306	2.7583
H2	1.0152		1.6194	3.3325	3.6339	4.1737	2.7627	2.6122	3.6096	2.0336	2.4341	3.5428	4.6059	3.4540
H3	1.0152	1.6194		2.7627	2.6122	3.6096	3.3325	3.6339	4.1737	2.0336	2.4341	3.5428	4.6059	3.4540
C4	2.4511	3.3325	2.7627		1.0908	1.0915	2.1444	3.1049	2.6468	1.5454	2.2609	1.5472	2.2721	2.1859
H5	2.6354	3.6339	2.6122	1.0908		1.7821	3.1049	3.9407	3.7229	2.2590	2.9321	2.2788	2.9592	2.5069
H6	3.3780	4.1737	3.6096	1.0915	1.7821		2.6468	3.7229	2.7113	2.1878	2.4755	2.1947	2.5100	3.0699
C7	2.4511	2.7627	3.3325	2.1444	3.1049	2.6468		1.0908	1.0915	1.5454	2.2609	1.5472	2.2721	2.1859
H8	2.6354	2.6122	3.6339	3.1049	3.9407	3.7229	1.0908		1.7821	2.2590	2.9321	2.2788	2.9592	2.5069
H9	3.3780	3.6096	4.1737	2.6468	3.7229	2.7113	1.0915	1.7821		2.1878	2.4755	2.1947	2.5100	3.0699
C10	1.4598	2.0336	2.0336	1.5454	2.2590	2.1878	1.5454	2.2590	2.1878		1.0969	2.1516	3.1125	2.6440
H11	2.1559	2.4341	2.4341	2.2609	2.9321	2.4755	2.2609	2.9321	2.4755	1.0969		3.1036	3.9345	3.7212
C12	2.8432	3.5428	3.5428	1.5472	2.2788	2.1947	1.5472	2.2788	2.1947	2.1516	3.1036		1.0895	1.0880
H13	3.9306	4.6059	4.6059	2.2721	2.9592	2.5100	2.2721	2.9592	2.5100	3.1125	3.9345	1.0895		1.7812
H14	2.7583	3.4540	3.4540	2.1859	2.5069	3.0699	2.1859	2.5069	3.0699	2.6440	3.7212	1.0880	1.7812

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	109.266	N1	C10	C7	109.266
N1	C10	H11	114.219	H2	N1	H3	105.791
H2	N1	C10	109.180	H3	N1	C10	109.180
C4	C10	C7	87.865	C4	C10	H11	116.642
C4	C12	C7	87.734	C4	C12	H13	117.975
C4	C12	H14	110.888	H5	C4	H6	109.501
H5	C4	C10	116.897	H5	C4	C12	118.472
H6	C4	C10	110.962	H6	C4	C12	111.386
C7	C10	H11	116.642	C7	C12	H13	117.975
C7	C12	H14	110.888	H8	C7	H9	109.501
H8	C7	C10	116.897	H8	C7	C12	118.472
H9	C7	C10	110.962	H9	C7	C12	111.386
C10	C4	C12	88.168	C10	C7	C12	88.168
H13	C12	H14	109.770

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)