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	hartrees
Energy at 0K	-212.652523
Energy at 298.15K	-212.665072
Nuclear repulsion energy	195.798971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3515	3458	1.04
2	A	3428	3374	0.53
3	A	3071	3022	15.79
4	A	3065	3016	16.33
5	A	3054	3005	17.94
6	A	3049	3000	26.47
7	A	3013	2965	8.84
8	A	2971	2924	19.22
9	A	2969	2922	30.96
10	A	2963	2915	8.60
11	A	2817	2772	74.55
12	A	1574	1548	46.77
13	A	1436	1413	9.97
14	A	1425	1402	1.79
15	A	1421	1398	8.93
16	A	1410	1388	3.89
17	A	1393	1370	1.69
18	A	1370	1348	6.51
19	A	1337	1315	22.39
20	A	1329	1308	17.23
21	A	1315	1294	1.79
22	A	1267	1247	0.65
23	A	1242	1222	1.24
24	A	1207	1187	0.68
25	A	1179	1160	1.67
26	A	1128	1110	8.08
27	A	1074	1057	0.22
28	A	1026	1009	2.34
29	A	976	960	5.60
30	A	943	928	2.02
31	A	929	914	10.95
32	A	813	800	59.88
33	A	805	793	55.10
34	A	741	729	7.98
35	A	466	459	5.60
36	A	448	441	7.52
37	A	363	357	1.87
38	A	302	297	24.18
39	A	254	250	5.67
40	A	227	223	4.76
41	A	216	212	11.90
42	A	113	111	1.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.508	1.357	-0.232
H2	-0.302	1.894	0.088
H3	1.339	1.860	0.092
C4	1.769	-0.673	-0.019
H5	1.891	-0.691	-1.115
H6	2.644	-0.154	0.411
H7	1.774	-1.710	0.356
C8	0.482	0.026	0.334
H9	0.376	0.024	1.449
C10	-0.708	-0.725	-0.224
H11	-0.567	-0.816	-1.318
H12	-0.698	-1.751	0.190
C13	-2.025	-0.051	0.076
H14	-2.883	-0.645	-0.277
H15	-2.090	0.932	-0.421
H16	-2.155	0.107	1.162

	N1	H2	H3	C4	H5	H6	H7	C8	H9	C10	H11	H12	C13	H14	H15	H16
N1		1.0235	1.0235	2.3994	2.6245	2.6937	3.3694	1.4466	2.1491	2.4114	2.6562	3.3601	2.9143	3.9380	2.6393	3.2555
H2	1.0235		1.6412	3.3005	3.5976	3.6022	4.1678	2.0409	2.4101	2.6691	3.0643	3.6677	2.5984	3.6385	2.0931	2.7893
H3	1.0235	1.6412		2.5718	2.8757	2.4207	3.6058	2.0387	2.4775	3.3124	3.5744	4.1465	3.8685	4.9225	3.5888	4.0526
C4	2.3994	3.3005	2.5718		1.1037	1.1039	1.1022	1.5067	2.1400	2.4860	2.6766	2.7000	3.8456	4.6592	4.1988	4.1716
H5	2.6245	3.5976	2.8757	1.1037		1.7843	1.7935	2.1451	3.0630	2.7482	2.4697	3.0872	4.1432	4.8477	4.3550	4.7115
H6	2.6937	3.6022	2.4207	1.1039	1.7843		1.7831	2.1704	2.4999	3.4584	3.7057	3.7098	4.6812	5.5905	4.9271	4.8639
H7	3.3694	4.1678	3.6058	1.1022	1.7935	1.7831		2.1640	2.4809	2.7322	3.0133	2.4777	4.1544	4.8189	4.7447	4.4033
C8	1.4466	2.0409	2.0387	1.5067	2.1451	2.1704	2.1640		1.1197	1.5136	2.1299	2.1375	2.5209	3.4848	2.8293	2.7651
H9	2.1491	2.4101	2.4775	2.1400	3.0630	2.4999	2.4809	1.1197		2.1293	3.0411	2.4265	2.7662	3.7476	3.2252	2.5486
C10	2.4114	2.6691	3.3124	2.4860	2.7482	3.4584	2.7322	1.5136	2.1293		1.1069	1.1057	1.5095	2.1772	2.1670	2.1699
H11	2.6562	3.0643	3.5744	2.6766	2.4697	3.7057	3.0133	2.1299	3.0411	1.1069		1.7790	2.1574	2.5452	2.4855	3.0864
H12	3.3601	3.6677	4.1465	2.7000	3.0872	3.7098	2.4777	2.1375	2.4265	1.1057	1.7790		2.1591	2.4932	3.0836	2.5537
C13	2.9143	2.5984	3.8685	3.8456	4.1432	4.6812	4.1544	2.5209	2.7662	1.5095	2.1574	2.1591		1.1016	1.1040	1.1050
H14	3.9380	3.6385	4.9225	4.6592	4.8477	5.5905	4.8189	3.4848	3.7476	2.1772	2.5452	2.4932	1.1016		1.7708	1.7792
H15	2.6393	2.0931	3.5888	4.1988	4.3550	4.9271	4.7447	2.8293	3.2252	2.1670	2.4855	3.0836	1.1040	1.7708		1.7868
H16	3.2555	2.7893	4.0526	4.1716	4.7115	4.8639	4.4033	2.7651	2.5486	2.1699	3.0864	2.5537	1.1050	1.7792	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C8	C4	108.657	N1	C8	H9	113.120
N1	C8	C10	109.079	H2	N1	H3	106.601
H2	N1	C8	110.257	H3	N1	C8	110.070
C4	C8	H9	108.236	C4	C8	C10	110.791
H5	C4	H6	107.843	H5	C4	H7	108.789
H5	C4	C8	109.555	H6	C4	H7	107.854
H6	C4	C8	111.552	H7	C4	C8	111.145
C8	C10	H11	107.729	C8	C10	H12	108.376
C8	C10	C13	112.998	H9	C8	C10	106.964
C10	C13	H14	112.042	C10	C13	H15	111.071
C10	C13	H16	111.247	H11	C10	H12	107.035
H11	C10	C13	110.139	H12	C10	C13	110.348
H14	C13	H15	106.813	H14	C13	H16	107.478
H15	C13	H16	107.966

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.521
2	H	0.244
3	H	0.245
4	C	-0.482
5	H	0.153
6	H	0.134
7	H	0.142
8	C	0.015
9	H	0.074
10	C	-0.187
11	H	0.128
12	H	0.118
13	C	-0.503
14	H	0.149
15	H	0.150
16	H	0.142

	x	y	z	Total
	-0.001	0.274	1.030	1.066
CHELPG
AIM
ESP

	x	y	z
x	9.145	0.023	0.023
y	0.023	8.089	-0.001
z	0.023	-0.001	7.089

<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(2df,p)

States and conformations

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