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	hartrees
Energy at 0K	-174.227567
Energy at 298.15K
HF Energy	-173.349875
Nuclear repulsion energy	131.704397

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.273	0.000
C2	0.000	0.749	0.000
C3	-0.055	-0.775	0.000
N4	-1.389	-1.360	0.000
H5	1.456	2.361	0.000
H6	1.972	0.927	0.879
H7	1.972	0.927	-0.879
H8	-0.534	1.123	0.875
H9	-0.534	1.123	-0.875
H10	0.478	-1.155	-0.872
H11	0.478	-1.155	0.872
H12	-1.908	-1.055	-0.810
H13	-1.908	-1.055	0.810

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5230	2.5303	3.8573	1.0875	1.0891	1.0891	2.1555	2.1555	2.7500	2.7500	4.1491	4.1491
C2	1.5230		1.5249	2.5249	2.1724	2.1661	2.1661	1.0916	1.0916	2.1477	2.1477	2.7473	2.7473
C3	2.5303	1.5249		1.4560	3.4812	2.7892	2.7892	2.1448	2.1448	1.0906	1.0906	2.0409	2.0409
N4	3.8573	2.5249	1.4560		4.6838	4.1589	4.1589	2.7683	2.7683	2.0708	2.0708	1.0091	1.0091
H5	1.0875	2.1724	3.4812	4.6838		1.7585	1.7585	2.5019	2.5019	3.7517	3.7517	4.8619	4.8619
H6	1.0891	2.1661	2.7892	4.1589	1.7585		1.7580	2.5137	3.0652	3.1036	2.5623	4.6723	4.3569
H7	1.0891	2.1661	2.7892	4.1589	1.7585	1.7580		3.0652	2.5137	2.5623	3.1036	4.3569	4.6723
H8	2.1555	1.0916	2.1448	2.7683	2.5019	2.5137	3.0652		1.7500	3.0444	2.4931	3.0773	2.5759
H9	2.1555	1.0916	2.1448	2.7683	2.5019	3.0652	2.5137	1.7500		2.4931	3.0444	2.5759	3.0773
H10	2.7500	2.1477	1.0906	2.0708	3.7517	3.1036	2.5623	3.0444	2.4931		1.7445	2.3888	2.9209
H11	2.7500	2.1477	1.0906	2.0708	3.7517	2.5623	3.1036	2.4931	3.0444	1.7445		2.9209	2.3888
H12	4.1491	2.7473	2.0409	1.0091	4.8619	4.6723	4.3569	3.0773	2.5759	2.3888	2.9209		1.6196
H13	4.1491	2.7473	2.0409	1.0091	4.8619	4.3569	4.6723	2.5759	3.0773	2.9209	2.3888	1.6196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.233	C1	C2	H8	109.955
C1	C2	H9	109.955	C2	C1	H5	111.561
C2	C1	H6	110.952	C2	C1	H7	110.952
C2	C3	N4	115.765	C2	C3	H10	109.270
C2	C3	H11	109.270	C3	C2	H8	108.985
C3	C2	H9	108.985	C3	N4	H12	110.455
C3	N4	H13	110.455	N4	C3	H10	107.950
N4	C3	H11	107.950	H5	C1	H6	107.788
H5	C1	H7	107.788	H6	C1	H7	107.631
H8	C2	H9	106.559	H10	C3	H11	106.209
H12	N4	H13	106.736

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

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

States and conformations

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