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	hartrees
Energy at 0K	-225.505596
Energy at 298.15K	-225.518085
Nuclear repulsion energy	193.058692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4092	3341	4.05
2	A	4083	3334	5.45
3	A	3902	3186	10.13
4	A	3900	3184	0.23
5	A	3761	3071	0.63
6	A	3751	3063	1.49
7	A	3724	3041	1.18
8	A	3604	2943	3.84
9	A	3575	2919	15.64
10	A	3570	2915	2.34
11	A	2028	1656	2.35
12	A	2020	1649	8.12
13	A	1834	1498	1.02
14	A	1828	1493	1.05
15	A	1796	1466	0.17
16	A	1747	1426	0.29
17	A	1712	1398	1.64
18	A	1666	1361	21.86
19	A	1631	1332	2.70
20	A	1590	1298	27.92
21	A	1496	1222	1.05
22	A	1431	1169	13.48
23	A	1389	1134	10.07
24	A	1315	1074	3.28
25	A	1245	1017	11.70
26	A	1221	997	1.45
27	A	1160	947	30.62
28	A	1132	924	83.72
29	A	1089	889	43.55
30	A	1010	825	16.72
31	A	948	774	8.60
32	A	535	437	0.72
33	A	502	410	18.39
34	A	403	329	0.39
35	A	352	287	50.36
36	A	279	228	3.93
37	A	253	207	47.82
38	A	229	187	7.37
39	A	89	73	5.55

Atom	x (Å)	y (Å)	z (Å)
N1	0.512	1.408	-0.243
H2	-0.235	1.963	0.206
H3	1.385	1.851	0.086
N4	-2.087	-0.126	0.038
H5	-2.109	0.793	-0.430
H6	-2.141	0.087	1.048
C7	-0.762	-0.739	-0.231
H8	-0.762	-1.744	0.194
H9	-0.650	-0.832	-1.311
C10	1.774	-0.708	-0.018
H11	1.752	-1.722	0.370
H12	1.902	-0.750	-1.095
H13	2.631	-0.197	0.410
C14	0.467	0.033	0.337
H15	0.375	0.067	1.430

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0331	1.0328	3.0314	2.6990	3.2327	2.4964	3.4279	2.7401	2.4745	3.4222	2.7046	2.7373	1.4929	2.1483
H2	1.0331		1.6281	2.7974	2.2995	2.8041	2.7873	3.7445	3.2070	3.3501	4.1900	3.6903	3.5945	2.0581	2.3378
H3	1.0328	1.6281		3.9961	3.6873	4.0583	3.3789	4.1890	3.6457	2.5910	3.6031	2.9029	2.4190	2.0520	2.4514
N4	3.0314	2.7974	3.9961		1.0321	1.0334	1.4848	2.0967	2.0938	3.9054	4.1711	4.1936	4.7335	2.5767	2.8346
H5	2.6990	2.2995	3.6873	1.0321		1.6387	2.0500	2.9393	2.3548	4.1840	4.6774	4.3488	4.9151	2.7936	3.1872
H6	3.2327	2.8041	4.0583	1.0334	1.6387		2.0542	2.4459	2.9380	4.1348	4.3461	4.6515	4.8228	2.7039	2.5447
C7	2.4964	2.7873	3.3789	1.4848	2.0500	2.0542		1.0911	1.0899	2.5450	2.7655	2.8002	3.4952	1.5582	2.1676
H8	3.4279	3.7445	4.1890	2.0967	2.9393	2.4459	1.0911		1.7632	2.7481	2.5211	3.1220	3.7360	2.1657	2.4700
H9	2.7401	3.2070	3.6457	2.0938	2.3548	2.9380	1.0899	1.7632		2.7504	3.0644	2.5624	3.7594	2.1705	3.0610
C10	2.4745	3.3501	2.5910	3.9054	4.1840	4.1348	2.5450	2.7481	2.7504		1.0856	1.0854	1.0861	1.5438	2.1574
H11	3.4222	4.1900	3.6031	4.1711	4.6774	4.3461	2.7655	2.5211	3.0644	1.0856		1.7646	1.7608	2.1754	2.4939
H12	2.7046	3.6903	2.9029	4.1936	4.3488	4.6515	2.8002	3.1220	2.5624	1.0854	1.7646		1.7618	2.1727	3.0614
H13	2.7373	3.5945	2.4190	4.7335	4.9151	4.8228	3.4952	3.7360	3.7594	1.0861	1.7608	1.7618		2.1773	2.4897
C14	1.4929	2.0581	2.0520	2.5767	2.7936	2.7039	1.5582	2.1657	2.1705	1.5438	2.1754	2.1727	2.1773		1.0975
H15	2.1483	2.3378	2.4514	2.8346	3.1872	2.5447	2.1676	2.4700	3.0610	2.1574	2.4939	3.0614	2.4897	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.788	N1	C14	C10	109.133
N1	C14	H15	111.142	H2	N1	H3	104.020
H2	N1	C14	107.734	H3	N1	C14	107.267
N4	C7	H8	107.991	N4	C7	H9	107.835
N4	C7	C14	115.699	H5	N4	H6	105.002
H5	N4	C7	107.712	H6	N4	C7	107.978
C7	C14	C10	110.253	C7	C14	H15	108.164
H8	C7	H9	107.887	H8	C7	C14	108.374
H9	C7	C14	108.808	C10	C14	H15	108.345
H11	C10	H12	108.748	H11	C10	H13	108.349
H11	C10	C14	110.439	H12	C10	H13	108.453
H12	C10	C14	110.233	H13	C10	C14	110.558

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

using model chemistry: HF/STO-3G

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	-0.387
2	H	0.138
3	H	0.146
4	N	-0.381
5	H	0.150
6	H	0.139
7	C	-0.023
8	H	0.060
9	H	0.069
10	C	-0.182
11	H	0.062
12	H	0.069
13	H	0.057
14	C	0.048
15	H	0.034

	x	y	z	Total
	1.375	0.949	1.944	2.563
CHELPG
AIM
ESP

	x	y	z
x	3.833	-0.271	-0.170
y	-0.271	3.787	-0.041
z	-0.170	-0.041	3.126

<r²>	145.298
(<r²>)^1/2	12.054

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

using model chemistry: HF/STO-3G

States and conformations

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