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	hartrees
Energy at 0K	-174.108026
Energy at 298.15K	-174.118497
HF Energy	-173.346964
Nuclear repulsion energy	131.434085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3559	3323	0.74
2	A'	3166	2956	35.05
3	A'	3091	2886	62.59
4	A'	3082	2878	13.94
5	A'	3075	2871	21.58
6	A'	1683	1571	26.55
7	A'	1538	1436	5.49
8	A'	1523	1422	0.49
9	A'	1516	1415	0.06
10	A'	1452	1356	1.00
11	A'	1450	1354	8.32
12	A'	1364	1274	8.55
13	A'	1174	1096	5.30
14	A'	1128	1053	14.83
15	A'	1064	993	0.54
16	A'	950	887	113.19
17	A'	874	816	74.19
18	A'	455	425	3.29
19	A'	269	251	4.83
20	A"	3643	3401	0.03
21	A"	3158	2949	71.67
22	A"	3138	2930	27.20
23	A"	3108	2902	2.35
24	A"	1529	1428	6.55
25	A"	1420	1326	0.28
26	A"	1349	1260	0.50
27	A"	1273	1189	0.01
28	A"	1058	988	0.23
29	A"	884	825	1.29
30	A"	764	714	0.55
31	A"	286	267	47.50
32	A"	230	215	4.50
33	A"	126	118	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.429	1.282	0.000
C2	0.000	0.749	0.000
C3	-0.053	-0.778	0.000
N4	-1.390	-1.370	0.000
H5	1.448	2.371	0.000
H6	1.972	0.937	0.881
H7	1.972	0.937	-0.881
H8	-0.535	1.120	0.877
H9	-0.535	1.120	-0.877
H10	0.480	-1.156	-0.874
H11	0.480	-1.156	0.874
H12	-1.905	-1.052	-0.810
H13	-1.905	-1.052	0.810

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5258	2.5386	3.8707	1.0892	1.0907	1.0907	2.1576	2.1576	2.7586	2.7586	4.1502	4.1502
C2	1.5258		1.5275	2.5336	2.1753	2.1680	2.1680	1.0930	1.0930	2.1496	2.1496	2.7436	2.7436
C3	2.5386	1.5275		1.4614	3.4893	2.7966	2.7966	2.1462	2.1462	1.0917	1.0917	2.0395	2.0395
N4	3.8707	2.5336	1.4614		4.6960	4.1713	4.1713	2.7753	2.7753	2.0752	2.0752	1.0116	1.0116
H5	1.0892	2.1753	3.4893	4.6960		1.7625	1.7625	2.5039	2.5039	3.7607	3.7607	4.8602	4.8602
H6	1.0907	2.1680	2.7966	4.1713	1.7625		1.7622	2.5136	3.0677	3.1126	2.5703	4.6742	4.3580
H7	1.0907	2.1680	2.7966	4.1713	1.7625	1.7622		3.0677	2.5136	2.5703	3.1126	4.3580	4.6742
H8	2.1576	1.0930	2.1462	2.7753	2.5039	2.5136	3.0677		1.7549	3.0463	2.4922	3.0732	2.5691
H9	2.1576	1.0930	2.1462	2.7753	2.5039	3.0677	2.5136	1.7549		2.4922	3.0463	2.5691	3.0732
H10	2.7586	2.1496	1.0917	2.0752	3.7607	3.1126	2.5703	3.0463	2.4922		1.7488	2.3881	2.9219
H11	2.7586	2.1496	1.0917	2.0752	3.7607	2.5703	3.1126	2.4922	3.0463	1.7488		2.9219	2.3881
H12	4.1502	2.7436	2.0395	1.0116	4.8602	4.6742	4.3580	3.0732	2.5691	2.3881	2.9219		1.6208
H13	4.1502	2.7436	2.0395	1.0116	4.8602	4.3580	4.6742	2.5691	3.0732	2.9219	2.3881	1.6208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.488	C1	C2	H8	109.851
C1	C2	H9	109.851	C2	C1	H5	111.483
C2	C1	H6	110.806	C2	C1	H7	110.806
C2	C3	N4	115.900	C2	C3	H10	109.180
C2	C3	H11	109.180	C3	C2	H8	108.839
C3	C2	H9	108.839	C3	N4	H12	109.778
C3	N4	H13	109.778	N4	C3	H10	107.863
N4	C3	H11	107.863	H5	C1	H6	107.912
H5	C1	H7	107.912	H6	C1	H7	107.774
H8	C2	H9	106.801	H10	C3	H11	106.444
H12	N4	H13	106.471

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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