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	hartrees
Energy at 0K	-174.013484
Energy at 298.15K
HF Energy	-173.350116
Nuclear repulsion energy	132.092387

Atom	x (Å)	y (Å)	z (Å)
C1	1.424	1.275	0.000
C2	0.000	0.745	0.000
C3	-0.054	-0.775	0.000
N4	-1.383	-1.357	0.000
H5	1.444	2.358	0.000
H6	1.966	0.934	0.875
H7	1.966	0.934	-0.875
H8	-0.532	1.118	0.871
H9	-0.532	1.118	-0.871
H10	0.477	-1.154	-0.869
H11	0.477	-1.154	0.869
H12	-1.902	-1.063	-0.806
H13	-1.902	-1.063	0.806

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5198	2.5280	3.8488	1.0831	1.0845	1.0845	2.1476	2.1476	2.7482	2.7482	4.1450	4.1450
C2	1.5198		1.5216	2.5168	2.1649	2.1604	2.1604	1.0870	1.0870	2.1418	2.1418	2.7453	2.7453
C3	2.5280	1.5216		1.4509	3.4732	2.7876	2.7876	2.1388	2.1388	1.0858	1.0858	2.0367	2.0367
N4	3.8488	2.5168	1.4509		4.6689	4.1516	4.1516	2.7591	2.7591	2.0625	2.0625	1.0033	1.0033
H5	1.0831	2.1649	3.4732	4.6689		1.7511	1.7511	2.4904	2.4904	3.7448	3.7448	4.8527	4.8527
H6	1.0845	2.1604	2.7876	4.1516	1.7511		1.7510	2.5052	3.0540	3.1017	2.5649	4.6668	4.3538
H7	1.0845	2.1604	2.7876	4.1516	1.7511	1.7510		3.0540	2.5052	2.5649	3.1017	4.3538	4.6668
H8	2.1476	1.0870	2.1388	2.7591	2.4904	2.5052	3.0540		1.7423	3.0343	2.4861	3.0737	2.5763
H9	2.1476	1.0870	2.1388	2.7591	2.4904	3.0540	2.5052	1.7423		2.4861	3.0343	2.5763	3.0737
H10	2.7482	2.1418	1.0858	2.0625	3.7448	3.1017	2.5649	3.0343	2.4861		1.7371	2.3811	2.9106
H11	2.7482	2.1418	1.0858	2.0625	3.7448	2.5649	3.1017	2.4861	3.0343	1.7371		2.9106	2.3811
H12	4.1450	2.7453	2.0367	1.0033	4.8527	4.6668	4.3538	3.0737	2.5763	2.3811	2.9106		1.6130
H13	4.1450	2.7453	2.0367	1.0033	4.8527	4.3538	4.6668	2.5763	3.0737	2.9106	2.3811	1.6130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.449	C1	C2	H8	109.834
C1	C2	H9	109.834	C2	C1	H5	111.452
C2	C1	H6	111.008	C2	C1	H7	111.008
C2	C3	N4	115.689	C2	C3	H10	109.319
C2	C3	H11	109.319	C3	C2	H8	109.009
C3	C2	H9	109.009	C3	N4	H12	110.849
C3	N4	H13	110.849	N4	C3	H10	107.927
N4	C3	H11	107.927	H5	C1	H6	107.771
H5	C1	H7	107.771	H6	C1	H7	107.661
H8	C2	H9	106.524	H10	C3	H11	106.242
H12	N4	H13	106.996

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

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

States and conformations

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