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	hartrees
Energy at 0K	-174.135405
Energy at 298.15K
HF Energy	-173.349693
Nuclear repulsion energy	131.418784

Atom	x (Å)	y (Å)	z (Å)
C1	1.434	1.276	0.000
C2	0.000	0.750	0.000
C3	-0.055	-0.777	0.000
N4	-1.393	-1.364	0.000
H5	1.461	2.364	0.000
H6	1.976	0.929	0.880
H7	1.976	0.929	-0.880
H8	-0.535	1.126	0.876
H9	-0.535	1.126	-0.876
H10	0.479	-1.157	-0.874
H11	0.479	-1.157	0.874
H12	-1.911	-1.052	-0.810
H13	-1.911	-1.052	0.810

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5270	2.5363	3.8673	1.0890	1.0907	1.0907	2.1601	2.1601	2.7561	2.7561	4.1549	4.1549
C2	1.5270		1.5288	2.5317	2.1769	2.1704	2.1704	1.0932	1.0932	2.1522	2.1522	2.7491	2.7491
C3	2.5363	1.5288		1.4604	3.4884	2.7947	2.7947	2.1494	2.1494	1.0921	1.0921	2.0435	2.0435
N4	3.8673	2.5317	1.4604		4.6949	4.1685	4.1685	2.7752	2.7752	2.0755	2.0755	1.0108	1.0108
H5	1.0890	2.1769	3.4884	4.6949		1.7613	1.7613	2.5070	2.5070	3.7592	3.7592	4.8681	4.8681
H6	1.0907	2.1704	2.7947	4.1685	1.7613		1.7608	2.5184	3.0706	3.1096	2.5676	4.6785	4.3630
H7	1.0907	2.1704	2.7947	4.1685	1.7613	1.7608		3.0706	2.5184	2.5676	3.1096	4.3630	4.6785
H8	2.1601	1.0932	2.1494	2.7752	2.5070	2.5184	3.0706		1.7530	3.0500	2.4978	3.0791	2.5771
H9	2.1601	1.0932	2.1494	2.7752	2.5070	3.0706	2.5184	1.7530		2.4978	3.0500	2.5771	3.0791
H10	2.7561	2.1522	1.0921	2.0755	3.7592	3.1096	2.5676	3.0500	2.4978		1.7476	2.3928	2.9251
H11	2.7561	2.1522	1.0921	2.0755	3.7592	2.5676	3.1096	2.4978	3.0500	1.7476		2.9251	2.3928
H12	4.1549	2.7491	2.0435	1.0108	4.8681	4.6785	4.3630	3.0791	2.5771	2.3928	2.9251		1.6198
H13	4.1549	2.7491	2.0435	1.0108	4.8681	4.3630	4.6785	2.5771	3.0791	2.9251	2.3928	1.6198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.195	C1	C2	H8	109.953
C1	C2	H9	109.953	C2	C1	H5	111.544
C2	C1	H6	110.920	C2	C1	H7	110.920
C2	C3	N4	115.744	C2	C3	H10	109.271
C2	C3	H11	109.271	C3	C2	H8	108.990
C3	C2	H9	108.990	C3	N4	H12	110.238
C3	N4	H13	110.238	N4	C3	H10	107.932
N4	C3	H11	107.932	H5	C1	H6	107.820
H5	C1	H7	107.820	H6	C1	H7	107.653
H8	C2	H9	106.594	H10	C3	H11	106.274
H12	N4	H13	106.490

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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