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	hartrees
Energy at 0K	-174.244254
Energy at 298.15K
HF Energy	-173.357743
Nuclear repulsion energy	136.385232

Atom	x (Å)	y (Å)	z (Å)
C1	0.293	0.220	0.000
N2	-0.909	1.047	0.000
H3	1.209	0.822	0.000
C4	0.293	-0.638	1.249
C5	0.293	-0.638	-1.249
H6	-0.926	1.647	-0.813
H7	-0.926	1.647	0.813
H8	-0.595	-1.269	1.264
H9	-0.595	-1.269	-1.264
H10	1.178	-1.271	1.280
H11	1.178	-1.271	-1.280
H12	0.287	-0.017	2.145
H13	0.287	-0.017	-2.145

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4592	1.0965	1.5149	1.5149	2.0452	2.0452	2.1450	2.1450	2.1550	2.1550	2.1583	2.1583
N2	1.4592		2.1304	2.4172	2.4172	1.0101	1.0101	2.6570	2.6570	3.3717	3.3717	2.6768	2.6768
H3	1.0965	2.1304		2.1282	2.1282	2.4294	2.4294	3.0368	3.0368	2.4530	2.4530	2.4811	2.4811
C4	1.5149	2.4172	2.1282		2.4977	3.3097	2.6258	1.0892	2.7386	1.0891	2.7531	1.0904	3.4505
C5	1.5149	2.4172	2.1282	2.4977		2.6258	3.3097	2.7386	1.0892	2.7531	1.0891	3.4505	1.0904
H6	2.0452	1.0101	2.4294	3.3097	2.6258		1.6254	3.5947	2.9688	4.1617	3.6276	3.6041	2.4527
H7	2.0452	1.0101	2.4294	2.6258	3.3097	1.6254		2.9688	3.5947	3.6276	4.1617	2.4527	3.6041
H8	2.1450	2.6570	3.0368	1.0892	2.7386	3.5947	2.9688		2.5278	1.7732	3.1007	1.7668	3.7373
H9	2.1450	2.6570	3.0368	2.7386	1.0892	2.9688	3.5947	2.5278		3.1007	1.7732	3.7373	1.7668
H10	2.1550	3.3717	2.4530	1.0891	2.7531	4.1617	3.6276	1.7732	3.1007		2.5597	1.7651	3.7548
H11	2.1550	3.3717	2.4530	2.7531	1.0891	3.6276	4.1617	3.1007	1.7732	2.5597		3.7548	1.7651
H12	2.1583	2.6768	2.4811	1.0904	3.4505	3.6041	2.4527	1.7668	3.7373	1.7651	3.7548		4.2906
H13	2.1583	2.6768	2.4811	3.4505	1.0904	2.4527	3.6041	3.7373	1.7668	3.7548	1.7651	4.2906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.521	C1	N2	H7	110.521
C1	C4	H8	109.836	C1	C4	H10	110.639
C1	C4	H12	110.828	C1	C5	H9	109.836
C1	C5	H11	110.639	C1	C5	H13	110.828
N2	C1	H3	112.164	N2	C1	C4	108.718
N2	C1	C5	108.718	H3	C1	C4	108.102
H3	C1	C5	108.102	C4	C1	C5	111.058
H6	N2	H7	107.137	H8	C4	H10	108.989
H8	C4	H12	108.317	H9	C5	H11	108.989
H9	C5	H13	108.317	H10	C4	H12	108.170
H11	C5	H13	108.170

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: CCSD=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 CH3CH(NH2)CH3 (2-Propanamine)

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

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)