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	hartrees
Energy at 0K	-212.574883
Energy at 298.15K	-212.587367
Nuclear repulsion energy	195.063296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3549	2.83
2	A	3500	3428	0.28
3	A	3086	3023	23.35
4	A	3075	3013	25.65
5	A	3066	3004	25.37
6	A	3059	2997	42.07
7	A	3022	2960	9.81
8	A	2977	2917	22.73
9	A	2971	2911	42.96
10	A	2968	2907	11.81
11	A	2785	2729	113.40
12	A	1629	1596	68.12
13	A	1491	1461	14.29
14	A	1479	1449	5.18
15	A	1473	1443	9.82
16	A	1465	1435	9.22
17	A	1449	1419	1.86
18	A	1385	1357	15.92
19	A	1384	1356	8.63
20	A	1380	1352	27.42
21	A	1365	1337	30.07
22	A	1312	1285	1.60
23	A	1273	1247	1.94
24	A	1236	1211	3.72
25	A	1205	1180	1.75
26	A	1161	1138	2.91
27	A	1091	1068	1.24
28	A	1039	1018	14.12
29	A	994	974	1.54
30	A	979	959	9.28
31	A	951	931	4.83
32	A	828	811	3.79
33	A	780	764	3.16
34	A	523	512	166.51
35	A	477	467	35.80
36	A	463	454	49.30
37	A	374	367	2.08
38	A	292	286	16.74
39	A	258	253	6.19
40	A	233	228	3.57
41	A	202	198	29.42
42	A	115	112	3.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.515	1.363	-0.178
H2	-0.307	1.940	-0.001
H3	1.399	1.861	-0.091
C4	1.775	-0.680	-0.026
H5	1.884	-0.686	-1.126
H6	2.652	-0.163	0.406
H7	1.779	-1.721	0.341
C8	0.483	0.019	0.343
H9	0.378	-0.017	1.463
C10	-0.715	-0.726	-0.230
H11	-0.565	-0.802	-1.325
H12	-0.711	-1.756	0.180
C13	-2.036	-0.047	0.072
H14	-2.894	-0.640	-0.288
H15	-2.095	0.939	-0.426
H16	-2.167	0.106	1.161

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0190	1.0191	2.4049	2.6398	2.6904	3.3730	1.4422	2.1488	2.4247	2.6780	3.3707	2.9254	3.9556	2.6553	3.2504
H2	1.0190		1.7103	3.3456	3.5992	3.6525	4.2266	2.1053	2.5381	2.7065	3.0561	3.7226	2.6352	3.6652	2.0926	2.8591
H3	1.0191	1.7103		2.5692	2.7913	2.4315	3.6277	2.1028	2.6428	3.3441	3.5326	4.1968	3.9333	4.9731	3.6294	4.1674
C4	2.4049	3.3456	2.5692		1.1053	1.1060	1.1038	1.5140	2.1462	2.4981	2.6793	2.7164	3.8640	4.6764	4.2133	4.1905
H5	2.6398	3.5992	2.7913	1.1053		1.7915	1.7983	2.1485	3.0685	2.7488	2.4597	3.0954	4.1479	4.8509	4.3539	4.7181
H6	2.6904	3.6525	2.4315	1.1060	1.7915		1.7871	2.1773	2.5118	3.4722	3.7090	3.7281	4.7013	5.6099	4.9435	4.8851
H7	3.3730	4.2266	3.6277	1.1038	1.7983	1.7871		2.1690	2.4745	2.7444	3.0189	2.4949	4.1742	4.8373	4.7608	4.4244
C8	1.4422	2.1053	2.1028	1.5140	2.1485	2.1773	2.1690		1.1252	1.5226	2.1351	2.1457	2.5347	3.4986	2.8433	2.7746
H9	2.1488	2.5381	2.6428	2.1462	3.0685	2.5118	2.4745	1.1252		2.1361	3.0468	2.4206	2.7866	3.7637	3.2554	2.5662
C10	2.4247	2.7065	3.3441	2.4981	2.7488	3.4722	2.7444	1.5226	2.1361		1.1086	1.1086	1.5158	2.1820	2.1716	2.1756
H11	2.6780	3.0561	3.5326	2.6793	2.4597	3.7090	3.0189	2.1351	3.0468	1.1086		1.7879	2.1647	2.5547	2.4862	3.0935
H12	3.3707	3.7226	4.1968	2.7164	3.0954	3.7281	2.4949	2.1457	2.4206	1.1086	1.7879		2.1654	2.4965	3.0899	2.5592
C13	2.9254	2.6352	3.9333	3.8640	4.1479	4.7013	4.1742	2.5347	2.7866	1.5158	2.1647	2.1654		1.1036	1.1063	1.1070
H14	3.9556	3.6652	4.9731	4.6764	4.8509	5.6099	4.8373	3.4986	3.7637	2.1820	2.5547	2.4965	1.1036		1.7754	1.7844
H15	2.6553	2.0926	3.6294	4.2133	4.3539	4.9435	4.7608	2.8433	3.2554	2.1716	2.4862	3.0899	1.1063	1.7754		1.7933
H16	3.2504	2.8591	4.1674	4.1905	4.7181	4.8851	4.4244	2.7746	2.5662	2.1756	3.0935	2.5592	1.1070	1.7844	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.854	N1	C8	H9	113.058
N1	C8	C10	109.702	H2	N1	H3	114.100
H2	N1	C8	116.546	H3	N1	C8	116.322
C4	C8	H9	107.913	C4	C8	C10	110.703
H5	C4	H6	108.222	H5	C4	H7	108.982
H5	C4	C8	109.228	H6	C4	H7	107.943
H6	C4	C8	111.464	H7	C4	C8	110.929
C8	C10	H11	107.432	C8	C10	H12	108.239
C8	C10	C13	113.066	H9	C8	C10	106.594
C10	C13	H14	111.861	C10	C13	H15	110.858
C10	C13	H16	111.137	H11	C10	H12	107.489
H11	C10	C13	110.182	H12	C10	C13	110.235
H14	C13	H15	106.911	H14	C13	H16	107.645
H15	C13	H16	108.238

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

using model chemistry: LSDA/6-31G

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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Number	Element	Mulliken
1	N	-0.717
2	H	0.297
3	H	0.297
4	C	-0.497
5	H	0.174
6	H	0.152
7	H	0.160
8	C	0.001
9	H	0.121
10	C	-0.261
11	H	0.160
12	H	0.143
13	C	-0.517
14	H	0.168
15	H	0.161
16	H	0.159

	x	y	z	Total
	0.108	0.508	0.851	0.997
CHELPG
AIM
ESP

	x	y	z
x	8.578	0.080	-0.010
y	0.080	7.721	-0.202
z	-0.010	-0.202	6.742

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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