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	hartrees
Energy at 0K	-208.779007
Energy at 298.15K	-208.789567
Nuclear repulsion energy	184.240629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3471	3109	0.07
2	A'	3461	3099	0.24
3	A'	3438	3079	13.53
4	A'	3346	2997	0.33
5	A'	3339	2990	0.84
6	A'	3253	2913	17.38
7	A'	1798	1610	3.40
8	A'	1614	1445	2.09
9	A'	1592	1426	0.69
10	A'	1458	1306	23.53
11	A'	1384	1239	1.14
12	A'	1299	1163	0.63
13	A'	1207	1081	1.15
14	A'	1179	1056	10.78
15	A'	1065	954	5.96
16	A'	953	853	18.67
17	A'	886	793	60.80
18	A'	820	734	0.26
19	A'	743	666	0.81
20	A'	385	345	7.74
21	A'	31	28	0.75
22	A"	3627	3248	8.54
23	A"	3464	3102	0.05
24	A"	3338	2989	0.18
25	A"	1584	1418	3.01
26	A"	1453	1301	0.02
27	A"	1364	1222	0.84
28	A"	1339	1199	0.04
29	A"	1313	1175	0.00
30	A"	1258	1126	0.49
31	A"	1102	987	0.38
32	A"	1069	957	0.19
33	A"	1017	911	1.42
34	A"	816	731	1.05
35	A"	371	332	12.40
36	A"	245	219	42.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.286	1.187	0.000
H2	-1.359	1.852	0.828
H3	-1.359	1.852	-0.828
C4	0.403	-0.336	-1.099
H5	-0.397	-0.414	-1.853
H6	1.377	-0.217	-1.598
C7	0.403	-0.336	1.099
H8	-0.397	-0.414	1.853
H9	1.377	-0.217	1.598
C10	0.146	0.746	0.000
H11	0.884	1.581	0.000
C12	0.403	-1.438	0.000
H13	1.271	-2.115	0.000
H14	-0.524	-2.033	0.000

	N1	H2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14
N1		1.0640	1.0640	2.5256	2.6051	3.4087	2.5256	2.6051	3.4087	1.4983	2.2048	3.1213	4.1768	3.3089
H2	1.0640		1.6559	3.4064	3.6393	4.2020	2.8220	2.6662	3.5161	2.0433	2.4064	3.8224	4.8314	4.0584
H3	1.0640	1.6559		2.8220	2.6662	3.5161	3.4064	3.6393	4.2020	2.0433	2.4064	3.8224	4.8314	4.0584
C4	2.5256	3.4064	2.8220		1.1015	1.1016	2.1979	3.0590	2.8705	1.5631	2.2612	1.5562	2.2645	2.2236
H5	2.6051	3.6393	2.6662	1.1015		1.8029	3.0590	3.7055	3.8854	2.2520	3.0084	2.2629	3.0184	2.4637
H6	3.4087	4.2020	3.5161	1.1016	1.8029		2.8705	3.8854	3.1969	2.2356	2.4559	2.2349	2.4837	3.0765
C7	2.5256	2.8220	3.4064	2.1979	3.0590	2.8705		1.1015	1.1016	1.5631	2.2612	1.5562	2.2645	2.2236
H8	2.6051	2.6662	3.6393	3.0590	3.7055	3.8854	1.1015		1.8029	2.2520	3.0084	2.2629	3.0184	2.4637
H9	3.4087	3.5161	4.2020	2.8705	3.8854	3.1969	1.1016	1.8029		2.2356	2.4559	2.2349	2.4837	3.0765
C10	1.4983	2.0433	2.0433	1.5631	2.2520	2.2356	1.5631	2.2520	2.2356		1.1144	2.1984	3.0742	2.8578
H11	2.2048	2.4064	2.4064	2.2612	3.0084	2.4559	2.2612	3.0084	2.4559	1.1144		3.0567	3.7163	3.8779
C12	3.1213	3.8224	3.8224	1.5562	2.2629	2.2349	1.5562	2.2629	2.2349	2.1984	3.0567		1.1016	1.1010
H13	4.1768	4.8314	4.8314	2.2645	3.0184	2.4837	2.2645	3.0184	2.4837	3.0742	3.7163	1.1016		1.7971
H14	3.3089	4.0584	4.0584	2.2236	2.4637	3.0765	2.2236	2.4637	3.0765	2.8578	3.8779	1.1010	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C10	C4	111.157	N1	C10	C7	111.157
N1	C10	H11	114.304	H2	N1	H3	102.186
H2	N1	C10	104.495	H3	N1	C10	104.495
C4	C10	C7	89.344	C4	C10	H11	114.198
C4	C12	C7	89.849	C4	C12	H13	115.814
C4	C12	H14	112.485	H5	C4	H6	109.840
H5	C4	C10	114.256	H5	C4	C12	115.679
H6	C4	C10	112.919	H6	C4	C12	113.360
C7	C10	H11	114.198	C7	C12	H13	115.814
C7	C12	H14	112.485	H8	C7	H9	109.840
H8	C7	C10	114.256	H8	C7	C12	115.679
H9	C7	C10	112.919	H9	C7	C12	113.360
C10	C4	C12	89.624	C10	C7	C12	89.624
H13	C12	H14	109.353

All results from a given calculation for C₄H₉N (Cyclobutylamine)

using model chemistry: LSDA/STO-3G

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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Number	Element	Mulliken
1	N	-0.385
2	H	0.161
3	H	0.161
4	C	-0.179
5	H	0.094
6	H	0.089
7	C	-0.179
8	H	0.094
9	H	0.089
10	C	-0.025
11	H	0.071
12	C	-0.176
13	H	0.087
14	H	0.097

	x	y	z	Total
	0.945	1.274	0.000	1.586
CHELPG
AIM
ESP

	x	y	z
x	3.576	-0.482	0.000
y	-0.482	3.711	0.000
z	0.000	0.000	3.734

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9N (Cyclobutylamine)

using model chemistry: LSDA/STO-3G

States and conformations

All results from a given calculation for C₄H₉N (Cyclobutylamine)