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	hartrees
Energy at 0K	-228.392965
Energy at 298.15K	-228.405799
HF Energy	-228.392965
Nuclear repulsion energy	195.945713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3820	3471	1.99
2	A	3808	3460	0.97
3	A	3733	3392	0.19
4	A	3728	3388	0.49
5	A	3237	2941	70.17
6	A	3221	2926	17.49
7	A	3220	2925	51.45
8	A	3179	2889	50.93
9	A	3162	2873	23.47
10	A	3071	2790	85.26
11	A	1803	1638	13.81
12	A	1795	1631	66.47
13	A	1621	1473	2.38
14	A	1614	1467	5.75
15	A	1606	1460	0.21
16	A	1557	1415	0.37
17	A	1538	1398	13.52
18	A	1518	1380	12.40
19	A	1494	1357	5.20
20	A	1464	1330	11.32
21	A	1362	1238	0.76
22	A	1305	1186	5.86
23	A	1258	1143	8.88
24	A	1177	1070	24.53
25	A	1130	1027	12.37
26	A	1089	990	2.99
27	A	1020	927	3.32
28	A	967	878	42.64
29	A	935	849	129.55
30	A	908	825	109.10
31	A	837	761	102.79
32	A	525	477	0.34
33	A	502	456	19.06
34	A	397	360	1.05
35	A	355	322	53.70
36	A	280	255	12.57
37	A	260	236	21.49
38	A	236	214	28.97
39	A	132	120	4.49

Atom	x (Å)	y (Å)	z (Å)
N1	0.612	1.389	-0.219
H2	-0.156	1.969	0.059
H3	1.429	1.824	0.172
N4	-2.097	-0.097	0.037
H5	-2.176	0.824	-0.346
H6	-2.238	-0.021	1.029
C7	-0.776	-0.677	-0.241
H8	-0.790	-1.685	0.159
H9	-0.668	-0.748	-1.317
C10	1.727	-0.758	-0.017
H11	1.663	-1.766	0.380
H12	1.845	-0.814	-1.093
H13	2.611	-0.284	0.398
C14	0.466	0.033	0.328
H15	0.372	0.064	1.414

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0017	1.0041	3.1006	2.8473	3.4160	2.4897	3.4001	2.7223	2.4279	3.3789	2.6720	2.6793	1.4694	2.1171
H2	1.0017		1.5955	2.8346	2.3563	3.0387	2.7341	3.7099	3.0879	3.3148	4.1663	3.6162	3.5848	2.0505	2.3967
H3	1.0041	1.5955		4.0172	3.7761	4.1931	3.3597	4.1516	3.6366	2.6057	3.6032	2.9551	2.4277	2.0391	2.3997
N4	3.1006	2.8346	4.0172		1.0013	1.0046	1.4688	2.0604	2.0737	3.8812	4.1274	4.1629	4.7258	2.5821	2.8311
H5	2.8473	2.3563	3.7761	1.0013		1.6155	2.0551	2.9110	2.3849	4.2243	4.6871	4.4054	4.9698	2.8382	3.1885
H6	3.4160	3.0387	4.1931	1.0046	1.6155		2.0444	2.3714	2.9152	4.1665	4.3219	4.6693	4.8972	2.7934	2.6392
C7	2.4897	2.7341	3.3597	1.4688	2.0551	2.0444		1.0846	1.0841	2.5150	2.7422	2.7597	3.4699	1.5396	2.1461
H8	3.4001	3.7099	4.1516	2.0604	2.9110	2.3714	1.0846		1.7530	2.6883	2.4637	3.0444	3.6862	2.1349	2.4460
H9	2.7223	3.0879	3.6366	2.0737	2.3849	2.9152	1.0841	1.7530		2.7253	3.0576	2.5234	3.7297	2.1448	3.0330
C10	2.4279	3.3148	2.6057	3.8812	4.2243	4.1665	2.5150	2.6883	2.7253		1.0854	1.0844	1.0855	1.5287	2.1355
H11	3.3789	4.1663	3.6032	4.1274	4.6871	4.3219	2.7422	2.4637	3.0576	1.0854		1.7638	1.7594	2.1616	2.4662
H12	2.6720	3.6162	2.9551	4.1629	4.4054	4.6693	2.7597	3.0444	2.5234	1.0844	1.7638		1.7590	2.1543	3.0379
H13	2.6793	3.5848	2.4277	4.7258	4.9698	4.8972	3.4699	3.6862	3.7297	1.0855	1.7594	1.7590		2.1704	2.4838
C14	1.4694	2.0505	2.0391	2.5821	2.8382	2.7934	1.5396	2.1349	2.1448	1.5287	2.1616	2.1543	2.1704		1.0907
H15	2.1171	2.3967	2.3997	2.8311	3.1885	2.6392	2.1461	2.4460	3.0330	2.1355	2.4662	3.0379	2.4838	1.0907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	111.645	N1	C14	C10	108.136
N1	C14	H15	110.699	H2	N1	H3	105.392
H2	N1	C14	110.730	H3	N1	C14	109.615
N4	C7	H8	106.618	N4	C7	H9	107.689
N4	C7	C14	118.229	H5	N4	H6	107.297
H5	N4	C7	111.196	H6	N4	C7	110.068
C7	C14	C10	110.101	C7	C14	H15	108.144
H8	C7	H9	107.865	H8	C7	C14	107.617
H9	C7	C14	108.422	C10	C14	H15	108.059
H11	C10	H12	108.767	H11	C10	H13	108.281
H11	C10	C14	110.415	H12	C10	H13	108.312
H12	C10	C14	109.888	H13	C10	C14	111.111

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

using model chemistry: HF/TZVP

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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Number	Element	Mulliken
1	N	-0.463
2	H	0.178
3	H	0.190
4	N	-0.448
5	H	0.192
6	H	0.179
7	C	-0.078
8	H	0.077
9	H	0.085
10	C	-0.307
11	H	0.082
12	H	0.092
13	H	0.081
14	C	0.088
15	H	0.052

	x	y	z	Total
	1.053	1.029	1.774	2.305
CHELPG
AIM
ESP

	x	y	z
x	7.917	-0.177	-0.067
y	-0.177	7.348	-0.052
z	-0.067	-0.052	6.673

<r²>	143.551
(<r²>)^1/2	11.981

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

using model chemistry: HF/TZVP

States and conformations

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