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	hartrees
Energy at 0K	-213.060770
Energy at 298.15K	-213.073640
HF Energy	-212.317832
Nuclear repulsion energy	194.030837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3608	3387	0.29
2	A	3523	3307	0.90
3	A	3188	2992	30.74
4	A	3181	2985	32.01
5	A	3171	2977	37.32
6	A	3170	2975	28.09
7	A	3139	2946	11.79
8	A	3097	2907	18.67
9	A	3095	2905	33.57
10	A	3092	2902	14.38
11	A	2995	2811	65.03
12	A	1738	1631	44.96
13	A	1573	1476	8.50
14	A	1561	1465	3.30
15	A	1560	1464	4.77
16	A	1553	1458	3.34
17	A	1543	1448	0.38
18	A	1490	1399	4.49
19	A	1471	1381	10.44
20	A	1466	1376	9.10
21	A	1443	1354	10.87
22	A	1385	1300	2.35
23	A	1345	1262	1.08
24	A	1303	1223	0.36
25	A	1244	1168	1.53
26	A	1210	1136	13.91
27	A	1110	1042	1.18
28	A	1073	1007	2.34
29	A	1054	989	7.44
30	A	1015	953	3.46
31	A	985	925	27.02
32	A	931	874	100.35
33	A	845	793	2.13
34	A	797	748	0.57
35	A	495	465	7.87
36	A	470	442	5.92
37	A	389	365	0.14
38	A	317	298	39.56
39	A	271	254	3.12
40	A	243	228	5.94
41	A	235	220	13.46
42	A	113	106	2.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.557	1.377	-0.239
H2	-0.220	1.937	0.106
H3	1.401	1.837	0.100
C4	1.778	-0.713	-0.011
H5	1.907	-0.744	-1.098
H6	2.647	-0.206	0.422
H7	1.758	-1.737	0.373
C8	0.486	0.023	0.332
H9	0.381	0.039	1.433
C10	-0.730	-0.708	-0.240
H11	-0.604	-0.776	-1.327
H12	-0.730	-1.734	0.152
C13	-2.067	-0.041	0.086
H14	-2.904	-0.653	-0.264
H15	-2.153	0.936	-0.398
H16	-2.185	0.097	1.167

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0178	1.0189	2.4306	2.6571	2.7038	3.3932	1.4709	2.1481	2.4506	2.6773	3.3890	3.0007	4.0126	2.7506	3.3368
H2	1.0178		1.6233	3.3201	3.6279	3.5931	4.1810	2.0523	2.3921	2.7162	3.0920	3.7062	2.7069	3.7485	2.2347	2.8935
H3	1.0189	1.6233		2.5802	2.8906	2.4151	3.6027	2.0450	2.4596	3.3370	3.5896	4.1586	3.9440	4.9864	3.6999	4.1260
C4	2.4306	3.3201	2.5802		1.0944	1.0961	1.0945	1.5255	2.1450	2.5178	2.7219	2.7122	3.9040	4.6886	4.2801	4.2130
H5	2.6571	3.6279	2.8906	1.0944		1.7741	1.7811	2.1568	3.0571	2.7736	2.5225	3.0814	4.2062	4.8837	4.4499	4.7527
H6	2.7038	3.5931	2.4151	1.0961	1.7741		1.7715	2.1751	2.4933	3.4779	3.7361	3.7163	4.7291	5.6112	5.0020	4.8989
H7	3.3932	4.1810	3.6027	1.0945	1.7811	1.7715		2.1719	2.4845	2.7610	3.0653	2.4974	4.1938	4.8283	4.7997	4.4208
C8	1.4709	2.0523	2.0450	1.5255	2.1568	2.1751	2.1719		1.1060	1.5297	2.1398	2.1440	2.5657	3.5077	2.8865	2.7999
H9	2.1481	2.3921	2.4596	2.1450	3.0571	2.4933	2.4845	1.1060		2.1422	3.0415	2.4529	2.7949	3.7614	3.2522	2.5805
C10	2.4506	2.7162	3.3370	2.5178	2.7736	3.4779	2.7610	1.5297	2.1422		1.0967	1.0975	1.5294	2.1747	2.1807	2.1788
H11	2.6773	3.0920	3.5896	2.7219	2.5225	3.7361	3.0653	2.1398	3.0415	1.0967		1.7665	2.1624	2.5360	2.4885	3.0795
H12	3.3890	3.7062	4.1586	2.7122	3.0814	3.7163	2.4974	2.1440	2.4529	1.0975	1.7665		2.1579	2.4632	3.0752	2.5501
C13	3.0007	2.7069	3.9440	3.9040	4.2062	4.7291	4.1938	2.5657	2.7949	1.5294	2.1624	2.1579		1.0943	1.0943	1.0963
H14	4.0126	3.7485	4.9864	4.6886	4.8837	5.6112	4.8283	3.5077	3.7614	2.1747	2.5360	2.4632	1.0943		1.7628	1.7692
H15	2.7506	2.2347	3.6999	4.2801	4.4499	5.0020	4.7997	2.8865	3.2522	2.1807	2.4885	3.0752	1.0943	1.7628		1.7759
H16	3.3368	2.8935	4.1260	4.2130	4.7527	4.8989	4.4208	2.7999	2.5805	2.1788	3.0795	2.5501	1.0963	1.7692	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.406	N1	C8	H9	112.166
N1	C8	C10	109.493	H2	N1	H3	105.696
H2	N1	C8	109.759	H3	N1	C8	109.090
C4	C8	H9	108.144	C4	C8	C10	110.998
H5	C4	H6	108.181	H5	C4	H7	108.920
H5	C4	C8	109.731	H6	C4	H7	107.936
H6	C4	C8	111.077	H7	C4	C8	110.918
C8	C10	H11	107.986	C8	C10	H12	108.260
C8	C10	C13	114.007	H9	C8	C10	107.646
C10	C13	H14	110.880	C10	C13	H15	111.353
C10	C13	H16	111.078	H11	C10	H12	107.238
H11	C10	C13	109.762	H12	C10	C13	109.360
H14	C13	H15	107.311	H14	C13	H16	107.728
H15	C13	H16	108.328

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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