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	hartrees
Energy at 0K	-173.987772
Energy at 298.15K
HF Energy	-173.297791
Nuclear repulsion energy	130.215912

Atom	x (Å)	y (Å)	z (Å)
C1	1.435	1.296	0.000
C2	0.000	0.748	0.000
C3	-0.053	-0.790	0.000
N4	-1.399	-1.387	0.000
H5	1.447	2.402	0.000
H6	1.990	0.951	0.894
H7	1.990	0.951	-0.894
H8	-0.548	1.126	0.889
H9	-0.548	1.126	-0.889
H10	0.491	-1.175	-0.887
H11	0.491	-1.175	0.887
H12	-1.907	-1.007	-0.809
H13	-1.907	-1.007	0.809

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5363	2.5625	3.9030	1.1059	1.1077	1.1077	2.1797	2.1797	2.7902	2.7902	4.1383	4.1383
C2	1.5363		1.5387	2.5525	2.1977	2.1912	2.1912	1.1108	1.1108	2.1737	2.1737	2.7143	2.7143
C3	2.5625	1.5387		1.4729	3.5269	2.8290	2.8290	2.1695	2.1695	1.1095	1.1095	2.0344	2.0344
N4	3.9030	2.5525	1.4729		4.7389	4.2134	4.2134	2.7983	2.7983	2.0990	2.0990	1.0278	1.0278
H5	1.1059	2.1977	3.5269	4.7389		1.7892	1.7892	2.5293	2.5293	3.8073	3.8073	4.8497	4.8497
H6	1.1077	2.1912	2.8290	4.2134	1.7892		1.7882	2.5438	3.1067	3.1526	2.6011	4.6816	4.3618
H7	1.1077	2.1912	2.8290	4.2134	1.7892	1.7882		3.1067	2.5438	2.6011	3.1526	4.3618	4.6816
H8	2.1797	1.1108	2.1695	2.7983	2.5293	2.5438	3.1067		1.7789	3.0869	2.5243	3.0459	2.5300
H9	2.1797	1.1108	2.1695	2.7983	2.5293	3.1067	2.5438	1.7789		2.5243	3.0869	2.5300	3.0459
H10	2.7902	2.1737	1.1095	2.0990	3.8073	3.1526	2.6011	3.0869	2.5243		1.7745	2.4053	2.9419
H11	2.7902	2.1737	1.1095	2.0990	3.8073	2.6011	3.1526	2.5243	3.0869	1.7745		2.9419	2.4053
H12	4.1383	2.7143	2.0344	1.0278	4.8497	4.6816	4.3618	3.0459	2.5300	2.4053	2.9419		1.6171
H13	4.1383	2.7143	2.0344	1.0278	4.8497	4.3618	4.6816	2.5300	3.0459	2.9419	2.4053	1.6171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.885	C1	C2	H8	109.814
C1	C2	H9	109.814	C2	C1	H5	111.524
C2	C1	H6	110.898	C2	C1	H7	110.898
C2	C3	N4	115.871	C2	C3	H10	109.256
C2	C3	H11	109.256	C3	C2	H8	108.860
C3	C2	H9	108.860	C3	N4	H12	107.551
C3	N4	H13	107.551	N4	C3	H10	107.912
N4	C3	H11	107.912	H5	C1	H6	107.858
H5	C1	H7	107.858	H6	C1	H7	107.642
H8	C2	H9	106.392	H10	C3	H11	106.198
H12	N4	H13	103.754

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

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