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	hartrees
Energy at 0K	-213.196294
Energy at 298.15K	-213.209126
HF Energy	-212.395073
Nuclear repulsion energy	194.836163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3627	3438	0.55
2	A	3529	3346	0.25
3	A	3177	3011	34.86
4	A	3173	3007	23.59
5	A	3163	2998	40.29
6	A	3161	2996	23.16
7	A	3132	2969	10.82
8	A	3079	2919	41.64
9	A	3076	2916	9.15
10	A	3074	2914	23.42
11	A	2993	2837	62.90
12	A	1654	1568	43.03
13	A	1535	1455	8.91
14	A	1521	1442	3.90
15	A	1521	1442	5.82
16	A	1514	1435	3.15
17	A	1495	1417	0.76
18	A	1445	1370	4.40
19	A	1432	1357	5.49
20	A	1429	1355	13.05
21	A	1407	1333	12.03
22	A	1353	1283	2.28
23	A	1318	1250	0.97
24	A	1273	1206	0.43
25	A	1224	1160	1.92
26	A	1184	1123	8.53
27	A	1090	1033	1.33
28	A	1055	1000	2.93
29	A	1033	979	3.70
30	A	1001	949	1.71
31	A	964	914	11.28
32	A	886	840	107.28
33	A	833	789	4.80
34	A	785	744	3.08
35	A	486	461	6.08
36	A	465	441	7.14
37	A	381	361	1.57
38	A	307	291	32.15
39	A	266	252	2.67
40	A	240	228	1.76
41	A	230	218	14.51
42	A	118	111	1.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.632	1.379	-0.234
H2	-0.148	1.962	0.045
H3	1.458	1.820	0.161
C4	1.751	-0.756	-0.009
H5	1.871	-0.800	-1.091
H6	2.636	-0.280	0.417
H7	1.686	-1.771	0.385
C8	0.486	0.024	0.327
H9	0.378	0.035	1.421
C10	-0.746	-0.677	-0.252
H11	-0.626	-0.727	-1.336
H12	-0.749	-1.699	0.134
C13	-2.093	-0.024	0.093
H14	-2.924	-0.606	-0.305
H15	-2.173	0.974	-0.332
H16	-2.217	0.042	1.175

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0129	1.0158	2.4216	2.6497	2.6819	3.3792	1.4739	2.1475	2.4752	2.6890	3.3931	3.0828	4.0736	2.8357	3.4480
H2	1.0129		1.6165	3.3167	3.6054	3.5940	4.1734	2.0585	2.4262	2.7222	3.0600	3.7105	2.7805	3.7980	2.2843	3.0401
H3	1.0158	1.6165		2.5983	2.9329	2.4210	3.6051	2.0485	2.4376	3.3556	3.6145	4.1529	4.0019	5.0305	3.7604	4.2062
C4	2.4216	3.3167	2.5983		1.0900	1.0918	1.0902	1.5241	2.1345	2.5101	2.7227	2.6752	3.9150	4.6874	4.3010	4.2173
H5	2.6497	3.6054	2.9329	1.0900		1.7695	1.7760	2.1471	3.0396	2.7509	2.5101	3.0282	4.2097	4.8634	4.4811	4.7496
H6	2.6819	3.5940	2.4210	1.0918	1.7695		1.7689	2.1736	2.4915	3.4705	3.7302	3.6812	4.7476	5.6169	5.0261	4.9226
H7	3.3792	4.1734	3.6051	1.0902	1.7760	1.7689		2.1603	2.4592	2.7417	3.0655	2.4487	4.1739	4.8052	4.7899	4.3759
C8	1.4739	2.0585	2.0485	1.5241	2.1471	2.1736	2.1603		1.0994	1.5311	2.1368	2.1281	2.5903	3.5252	2.8994	2.8328
H9	2.1475	2.4262	2.4376	2.1345	3.0396	2.4915	2.4592	1.0994		2.1376	3.0315	2.4353	2.8062	3.7810	3.2348	2.6065
C10	2.4752	2.7222	3.3556	2.5101	2.7509	3.4705	2.7417	1.5311	2.1376		1.0917	1.0918	1.5367	2.1804	2.1840	2.1724
H11	2.6890	3.0600	3.6145	2.7227	2.5101	3.7302	3.0655	2.1368	3.0315	1.0917		1.7664	2.1655	2.5220	2.5087	3.0707
H12	3.3931	3.7105	4.1529	2.6752	3.0282	3.6812	2.4487	2.1281	2.4353	1.0918	1.7664		2.1479	2.4738	3.0641	2.5043
C13	3.0828	2.7805	4.0019	3.9150	4.2097	4.7476	4.1739	2.5903	2.8062	1.5367	2.1655	2.1479		1.0899	1.0879	1.0912
H14	4.0736	3.7980	5.0305	4.6874	4.8634	5.6169	4.8052	3.5252	3.7810	2.1804	2.5220	2.4738	1.0899		1.7500	1.7642
H15	2.8357	2.2843	3.7604	4.3010	4.4811	5.0261	4.7899	2.8994	3.2348	2.1840	2.5087	3.0641	1.0879	1.7500		1.7725
H16	3.4480	3.0401	4.2062	4.2173	4.7496	4.9226	4.3759	2.8328	2.6065	2.1724	3.0707	2.5043	1.0912	1.7642	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	107.741	N1	C8	H9	112.319
N1	C8	C10	110.900	H2	N1	H3	105.658
H2	N1	C8	110.363	H3	N1	C8	109.357
C4	C8	H9	107.800	C4	C8	C10	110.481
H5	C4	H6	108.390	H5	C4	H7	109.097
H5	C4	C8	109.318	H6	C4	H7	108.323
H6	C4	C8	111.310	H7	C4	C8	110.350
C8	C10	H11	107.940	C8	C10	H12	107.264
C8	C10	C13	115.204	H9	C8	C10	107.571
C10	C13	H14	111.085	C10	C13	H15	111.490
C10	C13	H16	110.364	H11	C10	H12	107.991
H11	C10	C13	109.790	H12	C10	C13	108.413
H14	C13	H15	106.943	H14	C13	H16	107.968
H15	C13	H16	108.855

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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