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	hartrees
Energy at 0K	-213.181291
Energy at 298.15K	-213.194107
HF Energy	-212.378378
Nuclear repulsion energy	194.431596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3616	3436	0.07
2	A	3525	3350	0.62
3	A	3170	3012	34.44
4	A	3166	3008	22.71
5	A	3155	2998	41.07
6	A	3153	2996	23.07
7	A	3124	2968	11.83
8	A	3070	2917	37.58
9	A	3068	2915	15.70
10	A	3065	2913	20.75
11	A	2983	2834	64.57
12	A	1649	1567	38.84
13	A	1534	1458	8.66
14	A	1521	1445	0.99
15	A	1519	1443	8.46
16	A	1512	1436	3.62
17	A	1493	1419	0.78
18	A	1442	1370	4.55
19	A	1422	1351	5.86
20	A	1421	1350	16.62
21	A	1402	1333	7.17
22	A	1345	1278	1.81
23	A	1314	1249	0.81
24	A	1275	1212	0.24
25	A	1221	1160	1.49
26	A	1181	1122	9.11
27	A	1094	1039	0.95
28	A	1057	1005	1.93
29	A	1029	978	5.15
30	A	996	946	1.15
31	A	969	921	18.59
32	A	901	856	98.38
33	A	833	791	1.46
34	A	785	746	1.25
35	A	483	459	5.88
36	A	465	442	6.27
37	A	378	360	0.61
38	A	310	294	29.62
39	A	263	250	4.20
40	A	241	229	4.49
41	A	228	216	14.87
42	A	112	107	2.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.527	1.372	-0.237
H2	-0.225	1.932	0.155
H3	1.387	1.826	0.059
C4	1.784	-0.692	-0.021
H5	1.909	-0.696	-1.108
H6	2.647	-0.183	0.423
H7	1.775	-1.724	0.342
C8	0.485	0.021	0.338
H9	0.391	0.036	1.439
C10	-0.723	-0.729	-0.221
H11	-0.588	-0.829	-1.305
H12	-0.730	-1.739	0.207
C13	-2.056	-0.039	0.072
H14	-2.899	-0.655	-0.254
H15	-2.125	0.918	-0.452
H16	-2.170	0.144	1.147

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0161	1.0168	2.4267	2.6356	2.7104	3.3884	1.4691	2.1482	2.4455	2.6890	3.3849	2.9601	3.9810	2.6993	3.2713
H2	1.0161		1.6184	3.3095	3.6132	3.5762	4.1717	2.0469	2.3715	2.7335	3.1445	3.7060	2.6921	3.7433	2.2379	2.8226
H3	1.0168	1.6184		2.5503	2.8276	2.3983	3.5823	2.0367	2.4700	3.3260	3.5796	4.1487	3.9162	4.9624	3.6637	4.0827
C4	2.4267	3.3095	2.5503		1.0943	1.0956	1.0939	1.5244	2.1450	2.5158	2.7008	2.7324	3.8963	4.6888	4.2494	4.2070
H5	2.6356	3.6132	2.8276	1.0943		1.7749	1.7822	2.1519	3.0538	2.7780	2.5083	3.1271	4.1889	4.8833	4.3940	4.7361
H6	2.7104	3.5762	2.3983	1.0956	1.7749		1.7728	2.1726	2.4839	3.4744	3.7237	3.7239	4.7180	5.6067	4.9744	4.8820
H7	3.3884	4.1717	3.5823	1.0939	1.7822	1.7728		2.1701	2.4934	2.7477	3.0160	2.5083	4.1939	4.8315	4.7770	4.4389
C8	1.4691	2.0469	2.0367	1.5244	2.1519	2.1726	2.1701		1.1052	1.5286	2.1386	2.1427	2.5560	3.5015	2.8708	2.7789
H9	2.1482	2.3715	2.4700	2.1450	3.0538	2.4839	2.4934	1.1052		2.1405	3.0387	2.4332	2.8033	3.7634	3.2683	2.5797
C10	2.4455	2.7335	3.3260	2.5158	2.7780	3.4744	2.7477	1.5286	2.1405		1.0966	1.0971	1.5291	2.1769	2.1746	2.1743
H11	2.6890	3.1445	3.5796	2.7008	2.5083	3.7237	3.0160	2.1386	3.0387	1.0966		1.7704	2.1626	2.5446	2.4781	3.0762
H12	3.3849	3.7060	4.1487	2.7324	3.1271	3.7239	2.5083	2.1427	2.4332	1.0971	1.7704		2.1602	2.4684	3.0724	2.5503
C13	2.9601	2.6921	3.9162	3.8963	4.1889	4.7180	4.1939	2.5560	2.8033	1.5291	2.1626	2.1602		1.0937	1.0936	1.0960
H14	3.9810	3.7433	4.9624	4.6888	4.8833	5.6067	4.8315	3.5015	3.7634	2.1769	2.5446	2.4684	1.0937		1.7641	1.7698
H15	2.6993	2.2379	3.6637	4.2494	4.3940	4.9744	4.7770	2.8708	3.2683	2.1746	2.4781	3.0724	1.0936	1.7641		1.7772
H16	3.2713	2.8226	4.0827	4.2070	4.7361	4.8820	4.4389	2.7789	2.5797	2.1743	3.0762	2.5503	1.0960	1.7698	1.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.308	N1	C8	H9	112.352
N1	C8	C10	109.313	H2	N1	H3	105.527
H2	N1	C8	109.551	H3	N1	C8	108.664
C4	C8	H9	108.264	C4	C8	C10	110.985
H5	C4	H6	108.289	H5	C4	H7	109.068
H5	C4	C8	109.429	H6	C4	H7	108.122
H6	C4	C8	110.982	H7	C4	C8	110.888
C8	C10	H11	107.970	C8	C10	H12	108.257
C8	C10	C13	113.426	H9	C8	C10	107.637
C10	C13	H14	111.113	C10	C13	H15	110.937
C10	C13	H16	110.768	H11	C10	H12	107.612
H11	C10	C13	109.805	H12	C10	C13	109.592
H14	C13	H15	107.520	H14	C13	H16	107.853
H15	C13	H16	108.519

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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