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	hartrees
Energy at 0K	-174.357678
Energy at 298.15K
HF Energy	-174.123377
Nuclear repulsion energy	131.025392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3505	1.28
2	A'	3124	3124	37.44
3	A'	3049	3049	60.98
4	A'	3044	3044	29.02
5	A'	3031	3031	17.73
6	A'	1673	1673	23.49
7	A'	1525	1525	5.31
8	A'	1511	1511	1.10
9	A'	1499	1499	0.04
10	A'	1426	1426	3.63
11	A'	1412	1412	5.39
12	A'	1338	1338	7.27
13	A'	1154	1154	4.42
14	A'	1101	1101	12.67
15	A'	1045	1045	0.65
16	A'	932	932	126.10
17	A'	857	857	80.81
18	A'	448	448	2.89
19	A'	265	265	3.95
20	A"	3585	3585	0.10
21	A"	3117	3117	68.61
22	A"	3089	3089	38.12
23	A"	3059	3059	2.71
24	A"	1516	1516	7.53
25	A"	1403	1403	0.51
26	A"	1336	1336	0.74
27	A"	1255	1255	0.00
28	A"	1045	1045	0.04
29	A"	871	871	1.42
30	A"	755	755	1.74
31	A"	299	299	42.80
32	A"	227	227	4.81
33	A"	132	132	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	1.427	1.297	0.000
C2	0.000	0.748	0.000
C3	-0.052	-0.784	0.000
N4	-1.388	-1.382	0.000
H5	1.437	2.389	0.000
H6	1.977	0.959	0.882
H7	1.977	0.959	-0.882
H8	-0.541	1.119	0.878
H9	-0.541	1.119	-0.878
H10	0.485	-1.163	-0.876
H11	0.485	-1.163	0.876
H12	-1.906	-1.057	-0.811
H13	-1.906	-1.057	0.811

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5291	2.5530	3.8865	1.0920	1.0934	1.0934	2.1629	2.1629	2.7761	2.7761	4.1605	4.1605
C2	1.5291		1.5328	2.5426	2.1811	2.1752	2.1752	1.0962	1.0962	2.1576	2.1576	2.7476	2.7476
C3	2.5530	1.5328		1.4643	3.5048	2.8162	2.8162	2.1524	2.1524	1.0950	1.0950	2.0418	2.0418
N4	3.8865	2.5426	1.4643		4.7120	4.1932	4.1932	2.7829	2.7829	2.0796	2.0796	1.0150	1.0150
H5	1.0920	2.1811	3.5048	4.7120		1.7653	1.7653	2.5093	2.5093	3.7802	3.7802	4.8692	4.8692
H6	1.0934	2.1752	2.8162	4.1932	1.7653		1.7650	2.5236	3.0769	3.1334	2.5937	4.6911	4.3755
H7	1.0934	2.1752	2.8162	4.1932	1.7653	1.7650		3.0769	2.5236	2.5937	3.1334	4.3755	4.6911
H8	2.1629	1.0962	2.1524	2.7829	2.5093	2.5236	3.0769		1.7557	3.0559	2.5029	3.0742	2.5699
H9	2.1629	1.0962	2.1524	2.7829	2.5093	3.0769	2.5236	1.7557		2.5029	3.0559	2.5699	3.0742
H10	2.7761	2.1576	1.0950	2.0796	3.7802	3.1334	2.5937	3.0559	2.5029		1.7511	2.3942	2.9277
H11	2.7761	2.1576	1.0950	2.0796	3.7802	2.5937	3.1334	2.5029	3.0559	1.7511		2.9277	2.3942
H12	4.1605	2.7476	2.0418	1.0150	4.8692	4.6911	4.3755	3.0742	2.5699	2.3942	2.9277		1.6213
H13	4.1605	2.7476	2.0418	1.0150	4.8692	4.3755	4.6911	2.5699	3.0742	2.9277	2.3942	1.6213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.976	C1	C2	H8	109.844
C1	C2	H9	109.844	C2	C1	H5	111.549
C2	C1	H6	110.987	C2	C1	H7	110.987
C2	C3	N4	116.050	C2	C3	H10	109.247
C2	C3	H11	109.247	C3	C2	H8	108.771
C3	C2	H9	108.771	C3	N4	H12	109.552
C3	N4	H13	109.552	N4	C3	H10	107.830
N4	C3	H11	107.830	H5	C1	H6	107.758
H5	C1	H7	107.758	H6	C1	H7	107.630
H8	C2	H9	106.413	H10	C3	H11	106.188
H12	N4	H13	106.010

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)

using model chemistry: B2PLYP=FULLultrafine/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 NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)