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	hartrees
Energy at 0K	-211.022249
Energy at 298.15K	-211.034263
Nuclear repulsion energy	187.990647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3200	31.25
2	A	3379	3127	3.14
3	A	3371	3119	6.25
4	A	3368	3116	5.37
5	A	3367	3115	2.74
6	A	3337	3087	1.98
7	A	3277	3032	33.26
8	A	3234	2992	4.96
9	A	3208	2968	3.22
10	A	3207	2967	3.19
11	A	3151	2915	20.44
12	A	1803	1668	3.03
13	A	1653	1530	2.81
14	A	1648	1525	2.93
15	A	1643	1520	2.14
16	A	1638	1515	1.81
17	A	1614	1493	0.14
18	A	1529	1414	0.05
19	A	1524	1410	0.66
20	A	1497	1385	1.19
21	A	1435	1328	16.76
22	A	1409	1303	11.64
23	A	1362	1260	1.68
24	A	1338	1238	1.33
25	A	1255	1161	5.30
26	A	1192	1103	5.54
27	A	1109	1026	2.36
28	A	1099	1017	15.74
29	A	1065	985	2.32
30	A	1038	960	5.76
31	A	1011	935	13.91
32	A	912	844	18.74
33	A	847	784	0.75
34	A	782	723	0.25
35	A	462	428	4.75
36	A	418	387	5.38
37	A	354	328	0.63
38	A	262	242	36.09
39	A	245	227	8.80
40	A	207	192	4.99
41	A	195	181	1.00
42	A	77	71	2.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.642	1.441	-0.287
H2	-0.186	1.981	0.143
H3	1.455	1.862	0.284
C4	1.808	-0.785	0.014
H5	1.968	-0.841	-1.081
H6	2.688	-0.290	0.472
H7	1.737	-1.815	0.418
C8	0.494	0.022	0.330
H9	0.360	0.056	1.445
C10	-0.772	-0.691	-0.298
H11	-0.677	-0.668	-1.405
H12	-0.766	-1.757	0.020
C13	-2.136	-0.040	0.125
H14	-2.982	-0.620	-0.296
H15	-2.216	1.001	-0.248
H16	-2.241	-0.027	1.230

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0785	1.0792	2.5310	2.7558	2.7850	3.5071	1.5549	2.2358	2.5581	2.7273	3.5076	3.1755	4.1694	2.8927	3.5736
H2	1.0785		1.6518	3.4125	3.7552	3.6775	4.2645	2.0824	2.3871	2.7704	3.1073	3.7843	2.8084	3.8437	2.2881	3.0717
H3	1.0792	1.6518		2.6844	3.0714	2.4868	3.6906	2.0769	2.4102	3.4373	3.7150	4.2544	4.0671	5.1173	3.8087	4.2575
C4	2.5310	3.4125	2.6844		1.1080	1.1092	1.1088	1.5739	2.2030	2.6001	2.8637	2.7511	4.0152	4.8027	4.4104	4.2949
H5	2.7558	3.7552	3.0714	1.1080		1.7988	1.8029	2.2152	3.1260	2.8531	2.6698	3.0860	4.3517	5.0166	4.6467	4.8698
H6	2.7850	3.6775	2.4868	1.1092	1.7988		1.7986	2.2204	2.5467	3.5670	3.8716	3.7798	4.8428	5.7312	5.1219	4.9937
H7	3.5071	4.2645	3.6906	1.1088	1.8029	1.7986		2.2197	2.5403	2.8411	3.2353	2.5352	4.2704	4.9201	4.8990	4.4362
C8	1.5549	2.0824	2.0769	1.5739	2.2152	2.2204	2.2197		1.1237	1.5824	2.2040	2.2014	2.6386	3.5897	2.9390	2.8796
H9	2.2358	2.3871	2.4102	2.2030	3.1260	2.5467	2.5403	1.1237		2.2085	3.1184	2.5663	2.8249	3.8283	3.2240	2.6112
C10	2.5581	2.7704	3.4373	2.6001	2.8531	3.5670	2.8411	1.5824	2.2085		1.1115	1.1124	1.5697	2.2114	2.2247	2.2211
H11	2.7273	3.1073	3.7150	2.8637	2.6698	3.8716	3.2353	2.2040	3.1184	1.1115		1.7955	2.2062	2.5590	2.5485	3.1307
H12	3.5076	3.7843	4.2544	2.7511	3.0860	3.7798	2.5352	2.2014	2.5663	1.1124	1.7955		2.1987	2.5104	3.1267	2.5750
C13	3.1755	2.8084	4.0671	4.0152	4.3517	4.8428	4.2704	2.6386	2.8249	1.5697	2.2062	2.1987		1.1088	1.1084	1.1092
H14	4.1694	3.8437	5.1173	4.8027	5.0166	5.7312	4.9201	3.5897	3.8283	2.2114	2.5590	2.5104	1.1088		1.7928	1.7964
H15	2.8927	2.2881	3.8087	4.4104	4.6467	5.1219	4.8990	2.9390	3.2240	2.2247	2.5485	3.1267	1.1084	1.7928		1.7997
H16	3.5736	3.0717	4.2575	4.2949	4.8698	4.9937	4.4362	2.8796	2.6112	2.2211	3.1307	2.5750	1.1092	1.7964	1.7997

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	107.978	N1	C8	H9	112.165
N1	C8	C10	109.248	H2	N1	H3	99.909
H2	N1	C8	103.017	H3	N1	C8	102.582
C4	C8	H9	108.339	C4	C8	C10	110.929
H5	C4	H6	108.444	H5	C4	H7	108.837
H5	C4	C8	110.162	H6	C4	H7	108.373
H6	C4	C8	110.498	H7	C4	C8	110.468
C8	C10	H11	108.534	C8	C10	H12	108.289
C8	C10	C13	113.674	H9	C8	C10	108.199
C10	C13	H14	110.119	C10	C13	H15	111.174
C10	C13	H16	110.846	H11	C10	H12	107.679
H11	C10	C13	109.560	H12	C10	C13	108.933
H14	C13	H15	107.924	H14	C13	H16	108.178
H15	C13	H16	108.497

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

using model chemistry: BLYP/STO-3G

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	-0.345
2	H	0.136
3	H	0.135
4	C	-0.214
5	H	0.079
6	H	0.068
7	H	0.070
8	C	0.011
9	H	0.052
10	C	-0.127
11	H	0.076
12	H	0.066
13	C	-0.214
14	H	0.072
15	H	0.070
16	H	0.067

	x	y	z	Total
	-0.161	-0.114	1.538	1.551
CHELPG
AIM
ESP

	x	y	z
x	4.731	0.024	0.074
y	0.024	4.345	0.064
z	0.074	0.064	3.410

<r²>	157.568
(<r²>)^1/2	12.553

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

using model chemistry: BLYP/STO-3G

States and conformations

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