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	hartrees
Energy at 0K	-174.179245
Energy at 298.15K
HF Energy	-173.351457
Nuclear repulsion energy	131.155474

Atom	x (Å)	y (Å)	z (Å)
C1	1.434	1.279	0.000
C2	0.000	0.750	0.000
C3	-0.054	-0.779	0.000
N4	-1.396	-1.373	0.000
H5	1.461	2.370	0.000
H6	1.977	0.931	0.882
H7	1.977	0.931	-0.882
H8	-0.537	1.125	0.878
H9	-0.537	1.125	-0.878
H10	0.481	-1.159	-0.876
H11	0.481	-1.159	0.876
H12	-1.908	-1.031	-0.807
H13	-1.908	-1.031	0.807

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5287	2.5397	3.8785	1.0915	1.0932	1.0932	2.1639	2.1639	2.7605	2.7605	4.1422	4.1422
C2	1.5287		1.5301	2.5410	2.1812	2.1729	2.1729	1.0958	1.0958	2.1552	2.1552	2.7321	2.7321
C3	2.5397	1.5301		1.4674	3.4944	2.7977	2.7977	2.1519	2.1519	1.0946	1.0946	2.0377	2.0377
N4	3.8785	2.5410	1.4674		4.7086	4.1789	4.1789	2.7838	2.7838	2.0824	2.0824	1.0154	1.0154
H5	1.0915	2.1812	3.4944	4.7086		1.7660	1.7660	2.5125	2.5125	3.7660	3.7660	4.8545	4.8545
H6	1.0932	2.1729	2.7977	4.1789	1.7660		1.7648	2.5222	3.0760	3.1139	2.5700	4.6688	4.3530
H7	1.0932	2.1729	2.7977	4.1789	1.7660	1.7648		3.0760	2.5222	2.5700	3.1139	4.3530	4.6688
H8	2.1639	1.0958	2.1519	2.7838	2.5125	2.5222	3.0760		1.7568	3.0550	2.5012	3.0608	2.5559
H9	2.1639	1.0958	2.1519	2.7838	2.5125	3.0760	2.5222	1.7568		2.5012	3.0550	2.5559	3.0608
H10	2.7605	2.1552	1.0946	2.0824	3.7660	3.1139	2.5700	3.0550	2.5012		1.7516	2.3937	2.9253
H11	2.7605	2.1552	1.0946	2.0824	3.7660	2.5700	3.1139	2.5012	3.0550	1.7516		2.9253	2.3937
H12	4.1422	2.7321	2.0377	1.0154	4.8545	4.6688	4.3530	3.0608	2.5559	2.3937	2.9253		1.6144
H13	4.1422	2.7321	2.0377	1.0154	4.8545	4.3530	4.6688	2.5559	3.0608	2.9253	2.3937	1.6144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.256	C1	C2	H8	109.976
C1	C2	H9	109.976	C2	C1	H5	111.610
C2	C1	H6	110.845	C2	C1	H7	110.845
C2	C3	N4	115.904	C2	C3	H10	109.267
C2	C3	H11	109.267	C3	C2	H8	108.944
C3	C2	H9	108.944	C3	N4	H12	108.952
C3	N4	H13	108.952	N4	C3	H10	107.849
N4	C3	H11	107.849	H5	C1	H6	107.870
H5	C1	H7	107.870	H6	C1	H7	107.641
H8	C2	H9	106.574	H10	C3	H11	106.275
H12	N4	H13	105.310

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

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

States and conformations

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