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	hartrees
Energy at 0K	-174.158768
Energy at 298.15K
HF Energy	-173.354368
Nuclear repulsion energy	131.374061

Atom	x (Å)	y (Å)	z (Å)
C1	1.433	1.276	0.000
C2	0.000	0.751	0.000
C3	-0.055	-0.776	0.000
N4	-1.392	-1.367	0.000
H5	1.459	2.366	0.000
H6	1.975	0.928	0.882
H7	1.975	0.928	-0.882
H8	-0.535	1.126	0.877
H9	-0.535	1.126	-0.877
H10	0.479	-1.156	-0.875
H11	0.479	-1.156	0.875
H12	-1.911	-1.051	-0.810
H13	-1.911	-1.051	0.810

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5264	2.5349	3.8688	1.0902	1.0918	1.0918	2.1601	2.1601	2.7556	2.7556	4.1541	4.1541
C2	1.5264		1.5278	2.5340	2.1771	2.1704	2.1704	1.0941	1.0941	2.1522	2.1522	2.7486	2.7486
C3	2.5349	1.5278		1.4621	3.4881	2.7936	2.7936	2.1494	2.1494	1.0930	1.0930	2.0439	2.0439
N4	3.8688	2.5340	1.4621		4.6974	4.1696	4.1696	2.7783	2.7783	2.0764	2.0764	1.0121	1.0121
H5	1.0902	2.1771	3.4881	4.6974		1.7636	1.7636	2.5069	2.5069	3.7597	3.7597	4.8677	4.8677
H6	1.0918	2.1704	2.7936	4.1696	1.7636		1.7630	2.5183	3.0716	3.1096	2.5663	4.6781	4.3623
H7	1.0918	2.1704	2.7936	4.1696	1.7636	1.7630		3.0716	2.5183	2.5663	3.1096	4.3623	4.6781
H8	2.1601	1.0941	2.1494	2.7783	2.5069	2.5183	3.0716		1.7544	3.0511	2.4981	3.0792	2.5768
H9	2.1601	1.0941	2.1494	2.7783	2.5069	3.0716	2.5183	1.7544		2.4981	3.0511	2.5768	3.0792
H10	2.7556	2.1522	1.0930	2.0764	3.7597	3.1096	2.5663	3.0511	2.4981		1.7491	2.3934	2.9260
H11	2.7556	2.1522	1.0930	2.0764	3.7597	2.5663	3.1096	2.4981	3.0511	1.7491		2.9260	2.3934
H12	4.1541	2.7486	2.0439	1.0121	4.8677	4.6781	4.3623	3.0792	2.5768	2.3934	2.9260		1.6195
H13	4.1541	2.7486	2.0439	1.0121	4.8677	4.3623	4.6781	2.5768	3.0792	2.9260	2.3934	1.6195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.193	C1	C2	H8	109.936
C1	C2	H9	109.936	C2	C1	H5	111.523
C2	C1	H6	110.894	C2	C1	H7	110.894
C2	C3	N4	115.872	C2	C3	H10	109.288
C2	C3	H11	109.288	C3	C2	H8	109.008
C3	C2	H9	109.008	C3	N4	H12	110.067
C3	N4	H13	110.067	N4	C3	H10	107.837
N4	C3	H11	107.837	H5	C1	H6	107.844
H5	C1	H7	107.844	H6	C1	H7	107.680
H8	C2	H9	106.594	H10	C3	H11	106.293
H12	N4	H13	106.279

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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