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	hartrees
Energy at 0K	-213.218837
Energy at 298.15K	-213.231660
HF Energy	-212.349897
Nuclear repulsion energy	194.770649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3642	3439	0.94
2	A	3547	3350	0.20
3	A	3205	3027	19.98
4	A	3200	3023	19.14
5	A	3191	3014	23.18
6	A	3188	3011	18.70
7	A	3158	2983	9.01
8	A	3102	2930	32.66
9	A	3100	2928	7.41
10	A	3097	2925	12.05
11	A	3011	2844	53.07
12	A	1677	1584	38.93
13	A	1543	1458	7.65
14	A	1530	1445	4.50
15	A	1529	1444	2.45
16	A	1519	1435	2.69
17	A	1502	1418	0.69
18	A	1440	1360	5.23
19	A	1427	1347	4.49
20	A	1423	1344	13.24
21	A	1404	1326	9.12
22	A	1347	1272	2.55
23	A	1316	1243	1.51
24	A	1276	1205	0.55
25	A	1220	1152	1.45
26	A	1180	1115	10.96
27	A	1094	1034	0.94
28	A	1058	1000	2.39
29	A	1029	972	6.47
30	A	993	938	1.90
31	A	971	917	19.15
32	A	898	848	96.90
33	A	833	787	1.25
34	A	782	739	0.92
35	A	481	455	6.75
36	A	459	433	5.71
37	A	377	356	0.24
38	A	322	304	30.50
39	A	267	252	2.22
40	A	240	227	4.42
41	A	232	219	12.53
42	A	117	110	1.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.539	1.370	-0.240
H2	-0.233	1.924	0.115
H3	1.378	1.835	0.093
C4	1.776	-0.698	-0.014
H5	1.902	-0.723	-1.098
H6	2.642	-0.189	0.416
H7	1.767	-1.722	0.364
C8	0.483	0.023	0.337
H9	0.380	0.037	1.435
C10	-0.722	-0.717	-0.235
H11	-0.592	-0.791	-1.319
H12	-0.723	-1.736	0.165
C13	-2.054	-0.043	0.082
H14	-2.893	-0.647	-0.264
H15	-2.132	0.929	-0.407
H16	-2.173	0.104	1.159

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0142	1.0152	2.4204	2.6407	2.6986	3.3812	1.4661	2.1462	2.4385	2.6672	3.3768	2.9704	3.9814	2.7118	3.3039
H2	1.0142		1.6127	3.3059	3.6103	3.5804	4.1661	2.0433	2.3829	2.7092	3.0916	3.6933	2.6810	3.7196	2.2062	2.8582
H3	1.0152	1.6127		2.5670	2.8704	2.4086	3.5889	2.0355	2.4556	3.3214	3.5738	4.1438	3.9118	4.9530	3.6584	4.0917
C4	2.4204	3.3059	2.5670		1.0915	1.0928	1.0913	1.5218	2.1427	2.5077	2.7054	2.7117	3.8868	4.6766	4.2512	4.1972
H5	2.6407	3.6103	2.8704	1.0915		1.7683	1.7754	2.1516	3.0513	2.7617	2.5044	3.0835	4.1835	4.8677	4.4130	4.7310
H6	2.6986	3.5804	2.4086	1.0928	1.7683		1.7657	2.1706	2.4913	3.4666	3.7191	3.7118	4.7098	5.5958	4.9712	4.8808
H7	3.3812	4.1661	3.5889	1.0913	1.7754	1.7657		2.1670	2.4837	2.7501	3.0435	2.4980	4.1832	4.8242	4.7774	4.4153
C8	1.4661	2.0433	2.0355	1.5218	2.1516	2.1706	2.1670		1.1026	1.5257	2.1358	2.1399	2.5505	3.4947	2.8654	2.7816
H9	2.1462	2.3829	2.4556	2.1427	3.0513	2.4913	2.4837	1.1026		2.1380	3.0352	2.4439	2.7850	3.7507	3.2391	2.5685
C10	2.4385	2.7092	3.3214	2.5077	2.7617	3.4666	2.7501	1.5257	2.1380		1.0939	1.0943	1.5265	2.1731	2.1745	2.1735
H11	2.6672	3.0916	3.5738	2.7054	2.5044	3.7191	3.0435	2.1358	3.0352	1.0939		1.7635	2.1587	2.5356	2.4824	3.0724
H12	3.3768	3.6933	4.1438	2.7117	3.0835	3.7118	2.4980	2.1399	2.4439	1.0943	1.7635		2.1553	2.4662	3.0684	2.5451
C13	2.9704	2.6810	3.9118	3.8868	4.1835	4.7098	4.1832	2.5505	2.7850	1.5265	2.1587	2.1553		1.0910	1.0910	1.0929
H14	3.9814	3.7196	4.9530	4.6766	4.8677	5.5958	4.8242	3.4947	3.7507	2.1731	2.5356	2.4662	1.0910		1.7566	1.7630
H15	2.7118	2.2062	3.6584	4.2512	4.4130	4.9712	4.7774	2.8654	3.2391	2.1745	2.4824	3.0684	1.0910	1.7566		1.7701
H16	3.3039	2.8582	4.0917	4.1972	4.7310	4.8808	4.4153	2.7816	2.5685	2.1735	3.0724	2.5451	1.0929	1.7630	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.185	N1	C8	H9	112.575
N1	C8	C10	109.169	H2	N1	H3	105.251
H2	N1	C8	109.589	H3	N1	C8	108.880
C4	C8	H9	108.402	C4	C8	C10	110.745
H5	C4	H6	108.111	H5	C4	H7	108.858
H5	C4	C8	109.742	H6	C4	H7	107.889
H6	C4	C8	111.176	H7	C4	C8	110.979
C8	C10	H11	108.104	C8	C10	H12	108.395
C8	C10	C13	113.365	H9	C8	C10	107.780
C10	C13	H14	111.150	C10	C13	H15	111.264
C10	C13	H16	111.074	H11	C10	H12	107.406
H11	C10	C13	109.840	H12	C10	C13	109.544
H14	C13	H15	107.231	H14	C13	H16	107.660
H15	C13	H16	108.292

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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