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	hartrees
Energy at 0K	-213.176324
Energy at 298.15K	-213.189025
Nuclear repulsion energy	185.503293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3524	3348	0.79
2	A'	3160	3003	33.39
3	A'	3074	2921	69.38
4	A'	3069	2916	29.87
5	A'	3065	2912	9.82
6	A'	3046	2894	14.87
7	A'	1659	1576	22.64
8	A'	1529	1452	5.28
9	A'	1520	1444	0.46
10	A'	1508	1433	0.32
11	A'	1500	1425	0.18
12	A'	1428	1357	2.63
13	A'	1421	1350	8.75
14	A'	1389	1320	3.75
15	A'	1292	1228	4.58
16	A'	1168	1110	6.63
17	A'	1119	1064	10.50
18	A'	1098	1043	3.94
19	A'	1048	996	27.74
20	A'	936	889	73.13
21	A'	901	856	99.85
22	A'	430	409	5.24
23	A'	394	374	0.53
24	A'	178	169	2.42
25	A"	3615	3435	0.02
26	A"	3158	3000	51.40
27	A"	3131	2975	57.98
28	A"	3114	2959	4.88
29	A"	3089	2936	2.94
30	A"	1521	1446	7.28
31	A"	1409	1339	1.44
32	A"	1341	1275	0.44
33	A"	1323	1257	0.01
34	A"	1246	1184	0.00
35	A"	1058	1005	0.64
36	A"	933	886	0.06
37	A"	799	759	0.43
38	A"	746	709	2.05
39	A"	303	288	47.85
40	A"	253	241	0.27
41	A"	121	115	0.00
42	A"	101	96	2.88

Atom	x (Å)	y (Å)	z (Å)
N1	2.536	0.420	0.000
C2	1.337	-0.423	0.000
C3	0.000	0.323	0.000
C4	-1.213	-0.608	0.000
C5	-2.540	0.151	0.000
H6	2.503	1.034	0.809
H7	2.503	1.034	-0.809
H8	1.385	-1.076	0.879
H9	1.385	-1.076	-0.879
H10	-0.042	0.978	-0.881
H11	-0.042	0.978	0.881
H12	-1.162	-1.262	0.880
H13	-1.162	-1.262	-0.880
H14	-3.393	-0.533	0.000
H15	-2.619	0.791	0.885
H16	-2.619	0.791	-0.885

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4653	2.5382	3.8871	5.0835	1.0164	1.0164	2.0826	2.0826	2.7811	2.7811	4.1563	4.1563	6.0059	5.2437	5.2437
C2	1.4653		1.5311	2.5566	3.9196	2.0336	2.0336	1.0965	1.0965	2.1543	2.1543	2.7788	2.7788	4.7320	4.2316	4.2316
C3	2.5382	1.5311		1.5286	2.5459	2.7247	2.7247	2.1561	2.1561	1.0991	1.0991	2.1526	2.1526	3.4999	2.8036	2.8036
C4	3.8871	2.5566	1.5286		1.5289	4.1418	4.1418	2.7819	2.7819	2.1595	2.1595	1.0972	1.0972	2.1821	2.1716	2.1716
C5	5.0835	3.9196	2.5459	1.5289		5.1831	5.1831	4.2052	4.2052	2.7755	2.7755	2.1609	2.1609	1.0940	1.0947	1.0947
H6	1.0164	2.0336	2.7247	4.1418	5.1831		1.6176	2.3898	2.9247	3.0551	2.5461	4.3248	4.6421	6.1545	5.1280	5.3999
H7	1.0164	2.0336	2.7247	4.1418	5.1831	1.6176		2.9247	2.3898	2.5461	3.0551	4.6421	4.3248	6.1545	5.3999	5.1280
H8	2.0826	1.0965	2.1561	2.7819	4.2052	2.3898	2.9247		1.7576	3.0587	2.5015	2.5531	3.1000	4.8886	4.4177	4.7567
H9	2.0826	1.0965	2.1561	2.7819	4.2052	2.9247	2.3898	1.7576		2.5015	3.0587	3.1000	2.5531	4.8886	4.7567	4.4177
H10	2.7811	2.1543	1.0991	2.1595	2.7755	3.0551	2.5461	3.0587	2.5015		1.7627	3.0615	2.5043	3.7811	3.1299	2.5840
H11	2.7811	2.1543	1.0991	2.1595	2.7755	2.5461	3.0551	2.5015	3.0587	1.7627		2.5043	3.0615	3.7811	2.5840	3.1299
H12	4.1563	2.7788	2.1526	1.0972	2.1609	4.3248	4.6421	2.5531	3.1000	3.0615	2.5043		1.7592	2.5070	2.5172	3.0740
H13	4.1563	2.7788	2.1526	1.0972	2.1609	4.6421	4.3248	3.1000	2.5531	2.5043	3.0615	1.7592		2.5070	3.0740	2.5172
H14	6.0059	4.7320	3.4999	2.1821	1.0940	6.1545	6.1545	4.8886	4.8886	3.7811	3.7811	2.5070	2.5070		1.7710	1.7710
H15	5.2437	4.2316	2.8036	2.1716	1.0947	5.1280	5.3999	4.4177	4.7567	3.1299	2.5840	2.5172	3.0740	1.7710		1.7696
H16	5.2437	4.2316	2.8036	2.1716	1.0947	5.3999	5.1280	4.7567	4.4177	2.5840	3.1299	3.0740	2.5172	1.7710	1.7696

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.768	N1	C2	H8	107.903
N1	C2	H9	107.903	C2	N1	H6	108.702
C2	N1	H7	108.702	C2	C3	C4	113.351
C2	C3	H10	108.873	C2	C3	H11	108.873
C3	C2	H8	109.165	C3	C2	H9	109.165
C3	C4	C5	112.746	C3	C4	H12	109.023
C3	C4	H13	109.023	C4	C3	H10	109.449
C4	C3	H11	109.449	C4	C5	H14	111.520
C4	C5	H15	110.639	C4	C5	H16	110.639
C5	C4	H12	109.642	C5	C4	H13	109.642
H6	N1	H7	105.451	H8	C2	H9	106.547
H10	C3	H11	106.623	H12	C4	H13	106.573
H14	C5	H15	108.030	H14	C5	H16	108.030
H15	C5	H16	107.849

All results from a given calculation for C(NH₂)H₂CH₂CH₂CH₃ (1-Butanamine)

using model chemistry: MP2/6-311G**

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 C(NH2)H2CH2CH2CH3 (1-Butanamine)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C(NH₂)H₂CH₂CH₂CH₃ (1-Butanamine)