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	hartrees
Energy at 0K	-38.418397
Energy at 298.15K	-38.430869
Nuclear repulsion energy	106.473267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3448	3365	3.63
2	A'	3064	2990	58.22
3	A'	2985	2913	67.37
4	A'	2960	2889	14.85
5	A'	2956	2885	78.56
6	A'	2945	2874	24.67
7	A'	1723	1681	32.54
8	A'	1538	1501	5.93
9	A'	1524	1488	0.75
10	A'	1512	1476	0.35
11	A'	1506	1469	0.40
12	A'	1447	1412	2.63
13	A'	1408	1374	9.18
14	A'	1400	1366	2.04
15	A'	1309	1277	4.03
16	A'	1141	1113	6.66
17	A'	1083	1057	14.49
18	A'	1070	1044	0.98
19	A'	999	975	19.16
20	A'	900	878	8.10
21	A'	764	746	290.63
22	A'	416	406	6.83
23	A'	382	373	0.53
24	A'	174	169	2.70
25	A"	3583	3497	0.18
26	A"	3063	2989	142.77
27	A"	3056	2982	17.54
28	A"	3020	2947	23.01
29	A"	2996	2925	2.88
30	A"	1527	1490	7.02
31	A"	1382	1349	0.35
32	A"	1319	1287	0.10
33	A"	1313	1282	0.47
34	A"	1257	1227	0.01
35	A"	1036	1011	0.05
36	A"	920	898	0.00
37	A"	785	767	0.61
38	A"	712	695	1.42
39	A"	244	238	56.07
40	A"	230	224	0.97
41	A"	113	110	0.05
42	A"	98	95	3.59

Atom	x (Å)	y (Å)	z (Å)
N1	2.600	0.372	0.000
C2	1.350	-0.458	0.000
C3	0.000	0.338	0.000
C4	-1.259	-0.589	0.000
C5	-2.603	0.208	0.000
H6	2.699	0.945	0.842
H7	2.699	0.945	-0.842
H8	1.390	-1.110	0.891
H9	1.390	-1.110	-0.891
H10	-0.024	0.994	-0.893
H11	-0.024	0.994	0.893
H12	-1.219	-1.245	0.891
H13	-1.219	-1.245	-0.891
H14	-3.473	-0.472	0.000
H15	-2.671	0.853	0.894
H16	-2.671	0.853	-0.894

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.5013	2.6006	3.9776	5.2064	1.0230	1.0230	2.1108	2.1108	2.8415	2.8415	4.2424	4.2424	6.1314	5.3683	5.3683
C2	1.5013		1.5667	2.6122	4.0088	2.1209	2.1209	1.1044	1.1044	2.1898	2.1898	2.8304	2.8304	4.8222	4.3225	4.3225
C3	2.6006	1.5667		1.5637	2.6067	2.8919	2.8919	2.1955	2.1955	1.1089	1.1089	2.1878	2.1878	3.5658	2.8635	2.8635
C4	3.9776	2.6122	1.5637		1.5629	4.3280	4.3280	2.8429	2.8429	2.1980	2.1980	1.1075	1.1075	2.2165	2.2075	2.2075
C5	5.2064	4.0088	2.6067	1.5629		5.4193	5.4193	4.2985	4.2985	2.8404	2.8404	2.1965	2.1965	1.1036	1.1046	1.1046
H6	1.0230	2.1209	2.8919	4.3280	5.4193		1.6841	2.4368	2.9896	3.2297	2.7244	4.4889	4.8117	6.3880	5.3712	5.6447
H7	1.0230	2.1209	2.8919	4.3280	5.4193	1.6841		2.9896	2.4368	2.7244	3.2297	4.8117	4.4889	6.3880	5.6447	5.3712
H8	2.1108	1.1044	2.1955	2.8429	4.2985	2.4368	2.9896		1.7812	3.1000	2.5353	2.6122	3.1621	4.9844	4.5104	4.8507
H9	2.1108	1.1044	2.1955	2.8429	4.2985	2.9896	2.4368	1.7812		2.5353	3.1000	3.1621	2.6122	4.9844	4.8507	4.5104
H10	2.8415	2.1898	1.1089	2.1980	2.8404	3.2297	2.7244	3.1000	2.5353		1.7865	3.1029	2.5384	3.8521	3.1970	2.6505
H11	2.8415	2.1898	1.1089	2.1980	2.8404	2.7244	3.2297	2.5353	3.1000	1.7865		2.5384	3.1029	3.8521	2.6505	3.1970
H12	4.2424	2.8304	2.1878	1.1075	2.1965	4.4889	4.8117	2.6122	3.1621	3.1029	2.5384		1.7825	2.5441	2.5519	3.1146
H13	4.2424	2.8304	2.1878	1.1075	2.1965	4.8117	4.4889	3.1621	2.6122	2.5384	3.1029	1.7825		2.5441	3.1146	2.5519
H14	6.1314	4.8222	3.5658	2.2165	1.1036	6.3880	6.3880	4.9844	4.9844	3.8521	3.8521	2.5441	2.5441		1.7882	1.7882
H15	5.3683	4.3225	2.8635	2.2075	1.1046	5.3712	5.6447	4.5104	4.8507	3.1970	2.6505	2.5519	3.1146	1.7882		1.7888
H16	5.3683	4.3225	2.8635	2.2075	1.1046	5.6447	5.3712	4.8507	4.5104	2.6505	3.1970	3.1146	2.5519	1.7882	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.893	N1	C2	H8	107.220
N1	C2	H9	107.220	C2	N1	H6	112.952
C2	N1	H7	112.952	C2	C3	C4	113.114
C2	C3	H10	108.644	C2	C3	H11	108.644
C3	C2	H8	109.343	C3	C2	H9	109.343
C3	C4	C5	112.960	C3	C4	H12	108.774
C3	C4	H13	108.774	C4	C3	H10	109.473
C4	C3	H11	109.473	C4	C5	H14	111.278
C4	C5	H15	110.514	C4	C5	H16	110.514
C5	C4	H12	109.496	C5	C4	H13	109.496
H6	N1	H7	110.798	H8	C2	H9	107.497
H10	C3	H11	107.324	H12	C4	H13	107.171
H14	C5	H15	108.151	H14	C5	H16	108.151
H15	C5	H16	108.127

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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