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	hartrees
Energy at 0K	-38.749839
Energy at 298.15K	-38.762616
HF Energy	-38.043199
Nuclear repulsion energy	112.764001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3584	3414	0.15
2	A	3485	3320	1.76
3	A	3166	3017	47.18
4	A	3162	3013	26.01
5	A	3150	3001	49.45
6	A	3147	2999	30.97
7	A	3122	2975	12.70
8	A	3063	2918	30.28
9	A	3057	2912	33.04
10	A	3055	2911	26.98
11	A	2982	2841	71.94
12	A	1719	1638	53.56
13	A	1551	1478	10.76
14	A	1536	1463	10.58
15	A	1535	1463	0.33
16	A	1528	1456	4.17
17	A	1514	1442	0.52
18	A	1454	1386	5.01
19	A	1441	1373	11.22
20	A	1435	1367	6.27
21	A	1399	1333	13.30
22	A	1352	1289	2.07
23	A	1317	1255	1.10
24	A	1273	1212	0.33
25	A	1221	1163	1.84
26	A	1176	1121	13.30
27	A	1089	1037	1.03
28	A	1053	1003	2.41
29	A	1027	979	7.08
30	A	990	944	1.62
31	A	967	921	32.97
32	A	912	869	93.94
33	A	828	789	1.19
34	A	776	739	0.86
35	A	479	456	6.38
36	A	461	439	6.99
37	A	380	362	0.21
38	A	316	301	35.08
39	A	262	250	5.96
40	A	235	224	2.06
41	A	217	207	19.09
42	A	120	114	1.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.527	1.379	-0.261
H2	-0.236	1.941	0.121
H3	1.389	1.843	0.032
C4	1.798	-0.693	-0.015
H5	1.921	-0.716	-1.104
H6	2.662	-0.175	0.420
H7	1.795	-1.721	0.365
C8	0.489	0.022	0.338
H9	0.393	0.054	1.440
C10	-0.721	-0.742	-0.219
H11	-0.584	-0.850	-1.303
H12	-0.723	-1.749	0.220
C13	-2.068	-0.055	0.069
H14	-2.906	-0.693	-0.232
H15	-2.157	0.886	-0.485
H16	-2.176	0.158	1.140

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0216	1.0225	2.4431	2.6532	2.7269	3.4068	1.4841	2.1608	2.4607	2.6989	3.4021	2.9827	4.0093	2.7380	3.2803
H2	1.0216		1.6304	3.3303	3.6343	3.6001	4.1938	2.0628	2.3867	2.7473	3.1524	3.7230	2.7098	3.7673	2.2745	2.8254
H3	1.0225	1.6304		2.5687	2.8490	2.4164	3.6015	2.0543	2.4850	3.3461	3.5950	4.1706	3.9439	4.9947	3.7096	4.0961
C4	2.4431	3.3303	2.5687		1.0957	1.0973	1.0956	1.5327	2.1562	2.5279	2.7120	2.7427	3.9189	4.7082	4.2842	4.2249
H5	2.6532	3.6343	2.8490	1.0957		1.7780	1.7840	2.1618	3.0655	2.7864	2.5160	3.1316	4.2097	4.9045	4.4247	4.7521
H6	2.7269	3.6001	2.4164	1.0973	1.7780		1.7733	2.1835	2.4983	3.4894	3.7359	3.7380	4.7442	5.6292	5.0165	4.9025
H7	3.4068	4.1938	3.6015	1.0956	1.7840	1.7733		2.1775	2.5038	2.7623	3.0329	2.5217	4.2168	4.8478	4.8094	4.4604
C8	1.4841	2.0628	2.0543	1.5327	2.1618	2.1835	2.1775		1.1067	1.5355	2.1456	2.1485	2.5719	3.5152	2.9024	2.7861
H9	2.1608	2.3867	2.4850	2.1562	3.0655	2.4983	2.5038	1.1067		2.1516	3.0492	2.4462	2.8193	3.7728	3.3017	2.5886
C10	2.4607	2.7473	3.3461	2.5279	2.7864	3.4894	2.7623	1.5355	2.1516		1.0981	1.0988	1.5387	2.1846	2.1862	2.1848
H11	2.6989	3.1524	3.5950	2.7120	2.5160	3.7359	3.0329	2.1456	3.0492	1.0981		1.7743	2.1721	2.5620	2.4814	3.0858
H12	3.4021	3.7230	4.1706	2.7427	3.1316	3.7380	2.5217	2.1485	2.4462	1.0988	1.7743		2.1683	2.4661	3.0812	2.5679
C13	2.9827	2.7098	3.9439	3.9189	4.2097	4.7442	4.2168	2.5719	2.8193	1.5387	2.1721	2.1683		1.0953	1.0949	1.0976
H14	4.0093	3.7673	4.9947	4.7082	4.9045	5.6292	4.8478	3.5152	3.7728	2.1846	2.5620	2.4661	1.0953		1.7656	1.7717
H15	2.7380	2.2745	3.7096	4.2842	4.4247	5.0165	4.8094	2.9024	3.3017	2.1862	2.4814	3.0812	1.0949	1.7656		1.7806
H16	3.2803	2.8254	4.0961	4.2249	4.7521	4.9025	4.4604	2.7861	2.5886	2.1848	3.0858	2.5679	1.0976	1.7717	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.146	N1	C8	H9	112.209
N1	C8	C10	109.148	H2	N1	H3	105.813
H2	N1	C8	109.438	H3	N1	C8	108.685
C4	C8	H9	108.472	C4	C8	C10	110.953
H5	C4	H6	108.345	H5	C4	H7	109.004
H5	C4	C8	109.545	H6	C4	H7	107.928
H6	C4	C8	111.162	H7	C4	C8	110.790
C8	C10	H11	107.966	C8	C10	H12	108.146
C8	C10	C13	113.563	H9	C8	C10	107.933
C10	C13	H14	110.950	C10	C13	H15	111.095
C10	C13	H16	110.827	H11	C10	H12	107.731
H11	C10	C13	109.798	H12	C10	C13	109.460
H14	C13	H15	107.437	H14	C13	H16	107.788
H15	C13	H16	108.608

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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