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	hartrees
Energy at 0K	-173.971187
Energy at 298.15K	-173.981714
HF Energy	-173.298871
Nuclear repulsion energy	130.631267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3520	3310	1.41
2	A'	3174	2985	30.62
3	A'	3084	2900	33.71
4	A'	3079	2896	44.65
5	A'	3069	2886	23.38
6	A'	1680	1580	17.12
7	A'	1515	1424	3.72
8	A'	1502	1412	1.20
9	A'	1491	1402	0.05
10	A'	1431	1345	1.44
11	A'	1420	1335	7.21
12	A'	1335	1255	14.30
13	A'	1172	1102	7.07
14	A'	1131	1064	17.00
15	A'	1073	1009	0.50
16	A'	971	913	128.65
17	A'	885	832	28.59
18	A'	455	427	2.54
19	A'	267	251	3.51
20	A"	3599	3384	0.38
21	A"	3166	2977	49.69
22	A"	3132	2945	46.55
23	A"	3106	2920	1.89
24	A"	1504	1414	6.32
25	A"	1412	1328	0.69
26	A"	1333	1253	0.71
27	A"	1255	1180	0.01
28	A"	1048	986	0.20
29	A"	869	817	1.51
30	A"	753	708	1.46
31	A"	317	298	42.45
32	A"	239	225	3.76
33	A"	138	130	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.432	1.292	0.000
C2	0.000	0.746	0.000
C3	-0.054	-0.788	0.000
N4	-1.395	-1.381	0.000
H5	1.444	2.394	0.000
H6	1.985	0.948	0.891
H7	1.985	0.948	-0.891
H8	-0.545	1.123	0.886
H9	-0.545	1.123	-0.886
H10	0.490	-1.171	-0.883
H11	0.490	-1.171	0.883
H12	-1.904	-1.014	-0.807
H13	-1.904	-1.014	0.807

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5325	2.5566	3.8905	1.1018	1.1035	1.1035	2.1729	2.1729	2.7814	2.7814	4.1349	4.1349
C2	1.5325		1.5352	2.5434	2.1913	2.1853	2.1853	1.1064	1.1064	2.1668	2.1668	2.7153	2.7153
C3	2.5566	1.5352		1.4662	3.5172	2.8225	2.8225	2.1635	2.1635	1.1053	1.1053	2.0314	2.0314
N4	3.8905	2.5434	1.4662		4.7232	4.2004	4.2004	2.7887	2.7887	2.0918	2.0918	1.0225	1.0225
H5	1.1018	2.1913	3.5172	4.7232		1.7822	1.7822	2.5212	2.5212	3.7949	3.7949	4.8450	4.8450
H6	1.1035	2.1853	2.8225	4.2004	1.7822		1.7811	2.5365	3.0966	3.1423	2.5940	4.6753	4.3571
H7	1.1035	2.1853	2.8225	4.2004	1.7822	1.7811		3.0966	2.5365	2.5940	3.1423	4.3571	4.6753
H8	2.1729	1.1064	2.1635	2.7887	2.5212	2.5365	3.0966		1.7714	3.0764	2.5172	3.0460	2.5336
H9	2.1729	1.1064	2.1635	2.7887	2.5212	3.0966	2.5365	1.7714		2.5172	3.0764	2.5336	3.0460
H10	2.7814	2.1668	1.1053	2.0918	3.7949	3.1423	2.5940	3.0764	2.5172		1.7659	2.4005	2.9347
H11	2.7814	2.1668	1.1053	2.0918	3.7949	2.5940	3.1423	2.5172	3.0764	1.7659		2.9347	2.4005
H12	4.1349	2.7153	2.0314	1.0225	4.8450	4.6753	4.3571	3.0460	2.5336	2.4005	2.9347		1.6139
H13	4.1349	2.7153	2.0314	1.0225	4.8450	4.3571	4.6753	2.5336	3.0460	2.9347	2.4005	1.6139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.894	C1	C2	H8	109.801
C1	C2	H9	109.801	C2	C1	H5	111.528
C2	C1	H6	110.943	C2	C1	H7	110.943
C2	C3	N4	115.837	C2	C3	H10	109.207
C2	C3	H11	109.207	C3	C2	H8	108.884
C3	C2	H9	108.884	C3	N4	H12	108.092
C3	N4	H13	108.092	N4	C3	H10	108.052
N4	C3	H11	108.052	H5	C1	H6	107.830
H5	C1	H7	107.830	H6	C1	H7	107.601
H8	C2	H9	106.359	H10	C3	H11	106.041
H12	N4	H13	104.216

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

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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