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	hartrees
Energy at 0K	-212.409042
Energy at 298.15K	-212.422087
HF Energy	-212.409042
Nuclear repulsion energy	194.760079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3813	3456	1.12
2	A	3737	3387	0.10
3	A	3228	2926	82.21
4	A	3219	2918	49.95
5	A	3211	2911	78.84
6	A	3209	2909	26.78
7	A	3184	2886	8.25
8	A	3159	2864	24.45
9	A	3154	2858	51.70
10	A	3151	2856	26.68
11	A	3068	2781	70.14
12	A	1797	1629	45.04
13	A	1626	1474	6.94
14	A	1617	1465	0.10
15	A	1616	1465	7.25
16	A	1610	1459	3.02
17	A	1600	1451	0.21
18	A	1555	1410	4.67
19	A	1536	1392	8.27
20	A	1532	1388	6.63
21	A	1508	1367	14.18
22	A	1455	1319	3.92
23	A	1406	1274	1.70
24	A	1356	1229	2.03
25	A	1287	1167	2.70
26	A	1263	1145	14.63
27	A	1134	1028	5.11
28	A	1093	991	3.94
29	A	1091	989	2.26
30	A	1059	960	3.45
31	A	996	903	4.13
32	A	931	844	116.03
33	A	865	784	12.14
34	A	825	748	0.61
35	A	514	466	7.44
36	A	484	439	5.22
37	A	401	364	0.78
38	A	309	280	30.96
39	A	278	252	0.03
40	A	248	225	0.63
41	A	241	219	17.34
42	A	117	106	1.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.604	1.377	-0.231
H2	-0.143	1.960	0.078
H3	1.441	1.814	0.094
C4	1.761	-0.743	-0.006
H5	1.905	-0.801	-1.077
H6	2.631	-0.257	0.422
H7	1.720	-1.750	0.392
C8	0.487	0.026	0.318
H9	0.384	0.056	1.405
C10	-0.746	-0.686	-0.245
H11	-0.639	-0.762	-1.322
H12	-0.753	-1.700	0.143
C13	-2.082	-0.030	0.091
H14	-2.908	-0.640	-0.253
H15	-2.186	0.938	-0.381
H16	-2.198	0.101	1.162

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		0.9969	0.9986	2.4257	2.6740	2.6845	3.3779	1.4627	2.1136	2.4658	2.7035	3.3842	3.0495	4.0504	2.8281	3.3796
H2	0.9969		1.5915	3.3078	3.6264	3.5685	4.1636	2.0482	2.3800	2.7335	3.1006	3.7117	2.7787	3.8101	2.3296	2.9759
H3	0.9986	1.5915		2.5790	2.9021	2.4112	3.5873	2.0389	2.4342	3.3392	3.6005	4.1437	3.9769	5.0062	3.7614	4.1622
C4	2.4257	3.3078	2.5790		1.0829	1.0847	1.0832	1.5233	2.1267	2.5187	2.7367	2.6945	3.9097	4.6769	4.3062	4.2134
H5	2.6740	3.6264	2.9021	1.0829		1.7526	1.7590	2.1545	3.0342	2.7804	2.5551	3.0600	4.2251	4.8855	4.4986	4.7606
H6	2.6845	3.5685	2.4112	1.0847	1.7526		1.7494	2.1656	2.4723	3.4689	3.7399	3.6901	4.7304	5.5937	5.0277	4.8992
H7	3.3779	4.1636	3.5873	1.0832	1.7590	1.7494		2.1635	2.4641	2.7594	3.0777	2.4860	4.1833	4.8026	4.8035	4.4013
C8	1.4627	2.0482	2.0389	1.5233	2.1545	2.1656	2.1635		1.0917	1.5312	2.1394	2.1332	2.5795	3.5068	2.9091	2.8157
H9	2.1136	2.3800	2.4342	2.1267	3.0342	2.4723	2.4641	1.0917		2.1331	3.0248	2.4440	2.7959	3.7519	3.2516	2.5947
C10	2.4658	2.7335	3.3392	2.5187	2.7804	3.4689	2.7594	1.5312	2.1331		1.0848	1.0855	1.5260	2.1630	2.1750	2.1702
H11	2.7035	3.1006	3.6005	2.7367	2.5551	3.7399	3.0777	2.1394	3.0248	1.0848		1.7432	2.1481	2.5115	2.4834	3.0573
H12	3.3842	3.7117	4.1437	2.6945	3.0600	3.6901	2.4860	2.1332	2.4440	1.0855	1.7432		2.1347	2.4340	3.0474	2.5243
C13	3.0495	2.7787	3.9769	3.9097	4.2251	4.7304	4.1833	2.5795	2.7959	1.5260	2.1481	2.1347		1.0831	1.0824	1.0853
H14	4.0504	3.8101	5.0062	4.6769	4.8855	5.5937	4.8026	3.5068	3.7519	2.1630	2.5115	2.4340	1.0831		1.7404	1.7483
H15	2.8281	2.3296	3.7614	4.3062	4.4986	5.0277	4.8035	2.9091	3.2516	2.1750	2.4834	3.0474	1.0824	1.7404		1.7557
H16	3.3796	2.9759	4.1622	4.2134	4.7606	4.8992	4.4013	2.8157	2.5947	2.1702	3.0573	2.5243	1.0853	1.7483	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.643	N1	C8	H9	110.834
N1	C8	C10	110.877	H2	N1	H3	105.790
H2	N1	C8	111.349	H3	N1	C8	110.449
C4	C8	H9	107.694	C4	C8	C10	111.097
H5	C4	H6	107.912	H5	C4	H7	108.588
H5	C4	C8	110.378	H6	C4	H7	107.601
H6	C4	C8	111.163	H7	C4	C8	111.080
C8	C10	H11	108.530	C8	C10	H12	108.007
C8	C10	C13	115.075	H9	C8	C10	107.655
C10	C13	H14	110.850	C10	C13	H15	111.869
C10	C13	H16	111.295	H11	C10	H12	106.876
H11	C10	C13	109.568	H12	C10	C13	108.471
H14	C13	H15	106.969	H14	C13	H16	107.463
H15	C13	H16	108.184

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

using model chemistry: HF/Def2TZVPP

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	-0.431
2	H	0.132
3	H	0.132
4	C	-0.204
5	H	0.062
6	H	0.045
7	H	0.047
8	C	0.224
9	H	0.021
10	C	-0.052
11	H	0.039
12	H	0.027
13	C	-0.205
14	H	0.062
15	H	0.049
16	H	0.050

	x	y	z	Total
	-0.028	0.095	1.209	1.213
CHELPG
AIM
ESP

	x	y	z
x	9.124	-0.065	-0.005
y	-0.065	8.165	-0.003
z	-0.005	-0.003	7.371

<r²>	150.578
(<r²>)^1/2	12.271

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

using model chemistry: HF/Def2TZVPP

States and conformations

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