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	hartrees
Energy at 0K	-213.082980
Energy at 298.15K	-213.095860
HF Energy	-212.317897
Nuclear repulsion energy	194.187024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3610	3388	0.26
2	A	3525	3308	0.86
3	A	3189	2993	30.35
4	A	3182	2985	32.02
5	A	3173	2977	36.91
6	A	3171	2975	27.98
7	A	3140	2946	11.69
8	A	3098	2907	18.87
9	A	3096	2905	33.03
10	A	3093	2902	14.38
11	A	2996	2811	65.05
12	A	1738	1631	45.29
13	A	1573	1476	8.64
14	A	1562	1465	3.27
15	A	1561	1465	4.88
16	A	1554	1458	3.40
17	A	1543	1448	0.41
18	A	1491	1399	4.48
19	A	1473	1382	10.78
20	A	1467	1377	9.10
21	A	1444	1355	10.81
22	A	1387	1301	2.22
23	A	1346	1263	1.09
24	A	1304	1224	0.36
25	A	1245	1168	1.46
26	A	1211	1136	13.90
27	A	1112	1043	1.19
28	A	1074	1008	2.37
29	A	1055	990	7.32
30	A	1017	954	3.56
31	A	986	925	25.41
32	A	931	874	102.60
33	A	846	794	2.30
34	A	798	748	0.59
35	A	496	465	7.90
36	A	471	442	5.95
37	A	390	366	0.14
38	A	318	298	39.55
39	A	272	255	2.95
40	A	244	229	6.05
41	A	235	221	13.53
42	A	113	106	2.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.553	1.375	-0.235
H2	-0.237	1.930	0.081
H3	1.391	1.845	0.101
C4	1.776	-0.710	-0.011
H5	1.903	-0.749	-1.097
H6	2.645	-0.197	0.417
H7	1.759	-1.732	0.382
C8	0.485	0.025	0.332
H9	0.377	0.033	1.433
C10	-0.725	-0.706	-0.244
H11	-0.600	-0.761	-1.332
H12	-0.722	-1.735	0.139
C13	-2.062	-0.045	0.089
H14	-2.896	-0.651	-0.278
H15	-2.147	0.943	-0.375
H16	-2.185	0.072	1.172

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0167	1.0174	2.4270	2.6597	2.6964	3.3887	1.4659	2.1476	2.4424	2.6639	3.3815	2.9935	4.0004	2.7378	3.3427
H2	1.0167		1.6304	3.3215	3.6257	3.5982	4.1817	2.0536	2.4094	2.7010	3.0615	3.6975	2.6892	3.7229	2.1973	2.9045
H3	1.0174	1.6304		2.5866	2.9029	2.4178	3.6068	2.0467	2.4673	3.3326	3.5791	4.1571	3.9364	4.9750	3.6814	4.1325
C4	2.4270	3.3215	2.5866		1.0944	1.0961	1.0946	1.5241	2.1430	2.5117	2.7190	2.7038	3.8964	4.6800	4.2719	4.2071
H5	2.6597	3.6257	2.9029	1.0944		1.7745	1.7815	2.1565	3.0560	2.7630	2.5138	3.0638	4.1978	4.8691	4.4474	4.7468
H6	2.6964	3.5982	2.4178	1.0961	1.7745		1.7719	2.1727	2.4955	3.4717	3.7294	3.7116	4.7209	5.6029	4.9885	4.8960
H7	3.3887	4.1817	3.6068	1.0946	1.7815	1.7719		2.1702	2.4756	2.7595	3.0734	2.4930	4.1873	4.8247	4.7938	4.4087
C8	1.4659	2.0536	2.0467	1.5241	2.1565	2.1727	2.1702		1.1059	1.5267	2.1366	2.1423	2.5598	3.5018	2.8756	2.7996
H9	2.1476	2.4094	2.4673	2.1430	3.0560	2.4955	2.4756	1.1059		2.1383	3.0379	2.4508	2.7858	3.7562	3.2348	2.5756
C10	2.4424	2.7010	3.3326	2.5117	2.7630	3.4717	2.7595	1.5267	2.1383		1.0964	1.0974	1.5284	2.1721	2.1812	2.1778
H11	2.6639	3.0615	3.5791	2.7190	2.5138	3.7294	3.0734	2.1366	3.0379	1.0964		1.7678	2.1609	2.5285	2.4922	3.0783
H12	3.3815	3.6975	4.1571	2.7038	3.0638	3.7116	2.4930	2.1423	2.4508	1.0974	1.7678		2.1574	2.4653	3.0763	2.5445
C13	2.9935	2.6892	3.9364	3.8964	4.1978	4.7209	4.1873	2.5598	2.7858	1.5284	2.1609	2.1574		1.0943	1.0946	1.0961
H14	4.0004	3.7229	4.9750	4.6800	4.8691	5.6029	4.8247	3.5018	3.7562	2.1721	2.5285	2.4653	1.0943		1.7636	1.7698
H15	2.7378	2.1973	3.6814	4.2719	4.4474	4.9885	4.7938	2.8756	3.2348	2.1812	2.4922	3.0763	1.0946	1.7636		1.7754
H16	3.3427	2.9045	4.1325	4.2071	4.7468	4.8960	4.4087	2.7996	2.5756	2.1778	3.0783	2.5445	1.0961	1.7698	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.505	N1	C8	H9	112.494
N1	C8	C10	109.377	H2	N1	H3	106.553
H2	N1	C8	110.307	H3	N1	C8	109.686
C4	C8	H9	108.088	C4	C8	C10	110.827
H5	C4	H6	108.209	H5	C4	H7	108.948
H5	C4	C8	109.799	H6	C4	H7	107.959
H6	C4	C8	110.979	H7	C4	C8	110.872
C8	C10	H11	107.951	C8	C10	H12	108.341
C8	C10	C13	113.830	H9	C8	C10	107.558
C10	C13	H14	110.735	C10	C13	H15	111.443
C10	C13	H16	111.083	H11	C10	H12	107.381
H11	C10	C13	109.728	H12	C10	C13	109.401
H14	C13	H15	107.354	H14	C13	H16	107.791
H15	C13	H16	108.274

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)

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

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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All results from a given calculation for CH3C(NH2)HCH2CH3 (2-Butanamine)

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

States and conformations

All results from a given calculation for CH₃C(NH₂)HCH₂CH₃ (2-Butanamine)