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	hartrees
Energy at 0K	-174.237042
Energy at 298.15K
HF Energy	-173.354684
Nuclear repulsion energy	131.903039

Atom	x (Å)	y (Å)	z (Å)
C1	1.427	1.271	0.000
C2	0.000	0.748	0.000
C3	-0.055	-0.772	0.000
N4	-1.386	-1.361	0.000
H5	1.454	2.357	0.000
H6	1.967	0.922	0.879
H7	1.967	0.922	-0.879
H8	-0.533	1.122	0.875
H9	-0.533	1.122	-0.875
H10	0.477	-1.151	-0.872
H11	0.477	-1.151	0.872
H12	-1.903	-1.049	-0.808
H13	-1.903	-1.049	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5202	2.5241	3.8524	1.0867	1.0885	1.0885	2.1521	2.1521	2.7432	2.7432	4.1383	4.1383
C2	1.5202		1.5208	2.5233	2.1688	2.1613	2.1613	1.0907	1.0907	2.1428	2.1428	2.7390	2.7390
C3	2.5241	1.5208		1.4556	3.4740	2.7806	2.7806	2.1401	2.1401	1.0895	1.0895	2.0358	2.0358
N4	3.8524	2.5233	1.4556		4.6784	4.1507	4.1507	2.7667	2.7667	2.0683	2.0683	1.0084	1.0084
H5	1.0867	2.1688	3.4740	4.6784		1.7590	1.7590	2.4980	2.4980	3.7440	3.7440	4.8500	4.8500
H6	1.0885	2.1613	2.7806	4.1507	1.7590		1.7579	2.5079	3.0603	3.0953	2.5526	4.6591	4.3436
H7	1.0885	2.1613	2.7806	4.1507	1.7590	1.7579		3.0603	2.5079	2.5526	3.0953	4.3436	4.6591
H8	2.1521	1.0907	2.1401	2.7667	2.4980	2.5079	3.0603		1.7499	3.0390	2.4867	3.0692	2.5675
H9	2.1521	1.0907	2.1401	2.7667	2.4980	3.0603	2.5079	1.7499		2.4867	3.0390	2.5675	3.0692
H10	2.7432	2.1428	1.0895	2.0683	3.7440	3.0953	2.5526	3.0390	2.4867		1.7438	2.3835	2.9153
H11	2.7432	2.1428	1.0895	2.0683	3.7440	2.5526	3.0953	2.4867	3.0390	1.7438		2.9153	2.3835
H12	4.1383	2.7390	2.0358	1.0084	4.8500	4.6591	4.3436	3.0692	2.5675	2.3835	2.9153		1.6160
H13	4.1383	2.7390	2.0358	1.0084	4.8500	4.3436	4.6591	2.5675	3.0692	2.9153	2.3835	1.6160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.198	C1	C2	H8	109.942
C1	C2	H9	109.942	C2	C1	H5	111.513
C2	C1	H6	110.806	C2	C1	H7	110.806
C2	C3	N4	115.920	C2	C3	H10	109.236
C2	C3	H11	109.236	C3	C2	H8	108.955
C3	C2	H9	108.955	C3	N4	H12	110.099
C3	N4	H13	110.099	N4	C3	H10	107.854
N4	C3	H11	107.854	H5	C1	H6	107.932
H5	C1	H7	107.932	H6	C1	H7	107.701
H8	C2	H9	106.688	H10	C3	H11	106.313
H12	N4	H13	106.499

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

using model chemistry: MP3=FULL/aug-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=FULL/aug-cc-pVTZ

States and conformations

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