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	hartrees
Energy at 0K	-213.142310
Energy at 298.15K	-213.155189
HF Energy	-212.344561
Nuclear repulsion energy	194.748680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3676	3453	1.60
2	A	3570	3353	0.33
3	A	3221	3025	29.48
4	A	3215	3020	28.36
5	A	3206	3011	37.28
6	A	3204	3009	25.19
7	A	3170	2978	12.66
8	A	3113	2924	3.96
9	A	3113	2924	62.16
10	A	3110	2921	15.85
11	A	3022	2839	66.41
12	A	1697	1594	53.31
13	A	1558	1464	9.65
14	A	1546	1452	4.26
15	A	1546	1452	5.67
16	A	1538	1445	4.66
17	A	1521	1429	0.93
18	A	1462	1373	4.20
19	A	1453	1364	11.16
20	A	1446	1358	7.13
21	A	1416	1330	18.61
22	A	1368	1285	2.41
23	A	1329	1248	1.79
24	A	1284	1206	0.60
25	A	1232	1157	2.18
26	A	1194	1121	6.86
27	A	1103	1036	1.49
28	A	1064	999	4.05
29	A	1043	979	3.10
30	A	1008	947	2.14
31	A	971	912	8.50
32	A	884	830	116.23
33	A	838	787	10.80
34	A	792	744	3.46
35	A	493	463	7.72
36	A	469	440	6.17
37	A	387	363	0.63
38	A	318	298	36.68
39	A	271	255	1.50
40	A	243	228	4.68
41	A	236	221	11.36
42	A	121	114	1.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.551	1.371	-0.230
H2	-0.227	1.940	0.084
H3	1.398	1.838	0.079
C4	1.774	-0.706	-0.013
H5	1.899	-0.741	-1.094
H6	2.637	-0.195	0.415
H7	1.760	-1.724	0.375
C8	0.483	0.018	0.332
H9	0.377	0.030	1.428
C10	-0.727	-0.709	-0.242
H11	-0.600	-0.773	-1.324
H12	-0.727	-1.728	0.150
C13	-2.058	-0.041	0.086
H14	-2.894	-0.648	-0.259
H15	-2.144	0.931	-0.396
H16	-2.169	0.097	1.163

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0137	1.0146	2.4206	2.6506	2.6867	3.3779	1.4670	2.1395	2.4416	2.6689	3.3747	2.9839	3.9933	2.7364	3.3114
H2	1.0137		1.6286	3.3190	3.6186	3.5873	4.1784	2.0637	2.4118	2.7146	3.0791	3.7026	2.6972	3.7313	2.2187	2.8864
H3	1.0146	1.6286		2.5732	2.8769	2.4038	3.5924	2.0524	2.4759	3.3321	3.5746	4.1520	3.9337	4.9710	3.6872	4.1148
C4	2.4206	3.3190	2.5732		1.0894	1.0906	1.0892	1.5199	2.1380	2.5117	2.7135	2.7070	3.8906	4.6745	4.2640	4.1924
H5	2.6506	3.6186	2.8769	1.0894		1.7672	1.7732	2.1483	3.0453	2.7610	2.5097	3.0690	4.1878	4.8653	4.4304	4.7269
H6	2.6867	3.5873	2.4038	1.0906	1.7672		1.7633	2.1658	2.4869	3.4660	3.7204	3.7068	4.7089	5.5898	4.9785	4.8727
H7	3.3779	4.1784	3.5924	1.0892	1.7732	1.7633		2.1607	2.4702	2.7568	3.0604	2.4977	4.1828	4.8186	4.7846	4.4022
C8	1.4670	2.0637	2.0524	1.5199	2.1483	2.1658	2.1607		1.1008	1.5240	2.1319	2.1327	2.5537	3.4922	2.8755	2.7805
H9	2.1395	2.4118	2.4759	2.1380	3.0453	2.4869	2.4702	1.1008		2.1336	3.0292	2.4381	2.7808	3.7417	3.2396	2.5606
C10	2.4416	2.7146	3.3321	2.5117	2.7610	3.4660	2.7568	1.5240	2.1336		1.0922	1.0926	1.5245	2.1673	2.1727	2.1680
H11	2.6689	3.0791	3.5746	2.7135	2.5097	3.7204	3.0604	2.1319	3.0292	1.0922		1.7619	2.1565	2.5319	2.4797	3.0667
H12	3.3747	3.7026	4.1520	2.7070	3.0690	3.7068	2.4977	2.1327	2.4381	1.0926	1.7619		2.1500	2.4552	3.0628	2.5370
C13	2.9839	2.6972	3.9337	3.8906	4.1878	4.7089	4.1828	2.5537	2.7808	1.5245	2.1565	2.1500		1.0889	1.0889	1.0910
H14	3.9933	3.7313	4.9710	4.6745	4.8653	5.5898	4.8186	3.4922	3.7417	2.1673	2.5319	2.4552	1.0889		1.7534	1.7607
H15	2.7364	2.2187	3.6872	4.2640	4.4304	4.9785	4.7846	2.8755	3.2396	2.1727	2.4797	3.0628	1.0889	1.7534		1.7686
H16	3.3114	2.8864	4.1148	4.1924	4.7269	4.8727	4.4022	2.7805	2.5606	2.1680	3.0667	2.5370	1.0910	1.7607	1.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.252	N1	C8	H9	112.062
N1	C8	C10	109.417	H2	N1	H3	106.817
H2	N1	C8	111.273	H3	N1	C8	110.251
C4	C8	H9	108.265	C4	C8	C10	111.210
H5	C4	H6	108.315	H5	C4	H7	108.956
H5	C4	C8	109.738	H6	C4	H7	107.980
H6	C4	C8	111.054	H7	C4	C8	110.729
C8	C10	H11	108.014	C8	C10	H12	108.057
C8	C10	C13	113.799	H9	C8	C10	107.657
C10	C13	H14	110.957	C10	C13	H15	111.395
C10	C13	H16	110.893	H11	C10	H12	107.498
H11	C10	C13	109.903	H12	C10	C13	109.365
H14	C13	H15	107.242	H14	C13	H16	107.749
H15	C13	H16	108.448

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

using model chemistry: MP2=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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All results from a given calculation for CH3C(NH2)HCH2CH3 (2-Butanamine)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

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