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	hartrees
Energy at 0K	-229.164122
Energy at 298.15K
HF Energy	-228.327021
Nuclear repulsion energy	195.554254

Atom	x (Å)	y (Å)	z (Å)
N1	0.466	1.382	-0.218
H2	-0.307	1.910	0.165
H3	1.309	1.869	0.059
N4	-2.044	-0.135	0.025
H5	-2.118	0.743	-0.471
H6	-2.180	0.053	1.009
C7	-0.736	-0.737	-0.210
H8	-0.736	-1.743	0.215
H9	-0.606	-0.839	-1.288
C10	1.770	-0.666	-0.033
H11	1.782	-1.691	0.336
H12	1.882	-0.680	-1.116
H13	2.629	-0.145	0.392
C14	0.467	0.030	0.344
H15	0.382	0.029	1.442

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0115	1.0118	2.9422	2.6735	3.2054	2.4361	3.3761	2.6881	2.4348	3.3884	2.6581	2.7170	1.4644	2.1431
H2	1.0115		1.6199	2.6864	2.2461	2.7698	2.7079	3.6788	3.1239	3.3152	4.1670	3.6256	3.5912	2.0421	2.3765
H3	1.0118	1.6199		3.9055	3.6454	4.0466	3.3231	4.1535	3.5792	2.5780	3.6017	2.8648	2.4312	2.0426	2.4816
N4	2.9422	2.6864	3.9055		1.0106	1.0116	1.4587	2.0815	2.0706	3.8506	4.1418	4.1242	4.6865	2.5365	2.8140
H5	2.6735	2.2461	3.6454	1.0106		1.6343	2.0414	2.9256	2.3358	4.1580	4.6672	4.2940	4.9051	2.8027	3.2276
H6	3.2054	2.7698	4.0466	1.0116	1.6343		2.0487	2.4377	2.9248	4.1482	4.3814	4.6431	4.8524	2.7304	2.5989
C7	2.4361	2.7079	3.3231	1.4587	2.0414	2.0487		1.0922	1.0909	2.5130	2.7475	2.7709	3.4687	1.5303	2.1363
H8	3.3761	3.6788	4.1535	2.0815	2.9256	2.4377	1.0922		1.7594	2.7388	2.5217	3.1235	3.7288	2.1463	2.4274
H9	2.6881	3.1239	3.5792	2.0706	2.3358	2.9248	1.0909	1.7594		2.6923	3.0108	2.4985	3.7100	2.1373	3.0299
C10	2.4348	3.3152	2.5780	3.8506	4.1580	4.1482	2.5130	2.7388	2.6923		1.0893	1.0893	1.0904	1.5236	2.1405
H11	3.3884	4.1670	3.6017	4.1418	4.6672	4.3814	2.7475	2.5217	3.0108	1.0893		1.7719	1.7628	2.1652	2.4776
H12	2.6581	3.6256	2.8648	4.1242	4.2940	4.6431	2.7709	3.1235	2.4985	1.0893	1.7719		1.7660	2.1530	3.0487
H13	2.7170	3.5912	2.4312	4.6865	4.9051	4.8524	3.4687	3.7288	3.7100	1.0904	1.7628	1.7660		2.1687	2.4855
C14	1.4644	2.0421	2.0426	2.5365	2.8027	2.7304	1.5303	2.1463	2.1373	1.5236	2.1652	2.1530	2.1687		1.1014
H15	2.1431	2.3765	2.4816	2.8140	3.2276	2.5989	2.1363	2.4274	3.0299	2.1405	2.4776	3.0487	2.4855	1.1014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	108.852	N1	C14	C10	109.132
N1	C14	H15	112.515	H2	N1	H3	106.376
H2	N1	C14	109.778	H3	N1	C14	109.806
N4	C7	H8	108.515	N4	C7	H9	107.738
N4	C7	C14	116.100	H5	N4	H6	107.837
H5	N4	C7	110.205	H6	N4	C7	110.763
C7	C14	C10	110.748	C7	C14	H15	107.412
H8	C7	H9	107.393	H8	C7	C14	108.699
H9	C7	C14	108.077	C10	C14	H15	108.183
H11	C10	H12	108.845	H11	C10	H13	107.949
H11	C10	C14	110.827	H12	C10	H13	108.239
H12	C10	C14	109.860	H13	C10	C14	111.043

All results from a given calculation for C₃H₁₀N₂ (1,2-Diaminopropane)

using model chemistry: MP3/6-31+G**

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 C3H10N2 (1,2-Diaminopropane)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₃H₁₀N₂ (1,2-Diaminopropane)