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	hartrees
Energy at 0K	-174.146439
Energy at 298.15K
HF Energy	-173.352052
Nuclear repulsion energy	131.489468

Atom	x (Å)	y (Å)	z (Å)
C1	1.432	1.277	0.000
C2	0.000	0.749	0.000
C3	-0.055	-0.778	0.000
N4	-1.392	-1.368	0.000
H5	1.457	2.365	0.000
H6	1.974	0.931	0.880
H7	1.974	0.931	-0.880
H8	-0.535	1.123	0.875
H9	-0.535	1.123	-0.875
H10	0.480	-1.156	-0.872
H11	0.480	-1.156	0.872
H12	-1.905	-1.038	-0.806
H13	-1.905	-1.038	0.806

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5259	2.5361	3.8691	1.0882	1.0899	1.0899	2.1583	2.1583	2.7548	2.7548	4.1404	4.1404
C2	1.5259		1.5275	2.5336	2.1760	2.1686	2.1686	1.0922	1.0922	2.1499	2.1499	2.7334	2.7334
C3	2.5361	1.5275		1.4617	3.4875	2.7942	2.7942	2.1472	2.1472	1.0911	1.0911	2.0348	2.0348
N4	3.8691	2.5336	1.4617		4.6961	4.1697	4.1697	2.7761	2.7761	2.0763	2.0763	1.0106	1.0106
H5	1.0882	2.1760	3.4875	4.6961		1.7604	1.7604	2.5054	2.5054	3.7573	3.7573	4.8512	4.8512
H6	1.0899	2.1686	2.7942	4.1697	1.7604		1.7591	2.5166	3.0680	3.1073	2.5665	4.6650	4.3506
H7	1.0899	2.1686	2.7942	4.1697	1.7604	1.7591		3.0680	2.5166	2.5665	3.1073	4.3506	4.6650
H8	2.1583	1.0922	2.1472	2.7761	2.5054	2.5166	3.0680		1.7505	3.0467	2.4958	3.0616	2.5598
H9	2.1583	1.0922	2.1472	2.7761	2.5054	3.0680	2.5166	1.7505		2.4958	3.0467	2.5598	3.0616
H10	2.7548	2.1499	1.0911	2.0763	3.7573	3.1073	2.5665	3.0467	2.4958		1.7444	2.3893	2.9188
H11	2.7548	2.1499	1.0911	2.0763	3.7573	2.5665	3.1073	2.4958	3.0467	1.7444		2.9188	2.3893
H12	4.1404	2.7334	2.0348	1.0106	4.8512	4.6650	4.3506	3.0616	2.5598	2.3893	2.9188		1.6114
H13	4.1404	2.7334	2.0348	1.0106	4.8512	4.3506	4.6650	2.5598	3.0616	2.9188	2.3893	1.6114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.318	C1	C2	H8	109.941
C1	C2	H9	109.941	C2	C1	H5	111.598
C2	C1	H6	110.895	C2	C1	H7	110.895
C2	C3	N4	115.877	C2	C3	H10	109.232
C2	C3	H11	109.232	C3	C2	H8	108.967
C3	C2	H9	108.967	C3	N4	H12	109.426
C3	N4	H13	109.426	N4	C3	H10	107.962
N4	C3	H11	107.962	H5	C1	H6	107.842
H5	C1	H7	107.842	H6	C1	H7	107.602
H8	C2	H9	106.530	H10	C3	H11	106.135
H12	N4	H13	105.741

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

using model chemistry: MP3/cc-pVTZ

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/cc-pVTZ

States and conformations

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