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	hartrees
Energy at 0K	-229.543596
Energy at 298.15K	-229.556187
HF Energy	-229.305684
Nuclear repulsion energy	195.026912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3591	3409	0.04
2	A	3578	3396	0.48
3	A	3493	3316	2.38
4	A	3491	3313	0.79
5	A	3163	3002	30.37
6	A	3146	2986	32.57
7	A	3131	2972	26.35
8	A	3080	2924	43.35
9	A	3075	2918	15.82
10	A	2953	2803	83.69
11	A	1717	1629	4.40
12	A	1706	1619	57.53
13	A	1552	1473	2.75
14	A	1541	1463	4.27
15	A	1525	1448	0.45
16	A	1458	1384	4.96
17	A	1448	1375	6.89
18	A	1432	1359	7.36
19	A	1410	1338	8.72
20	A	1376	1306	12.54
21	A	1294	1228	1.04
22	A	1239	1176	5.26
23	A	1191	1131	4.91
24	A	1129	1072	8.70
25	A	1074	1020	13.10
26	A	1044	991	1.87
27	A	981	931	17.94
28	A	941	893	127.34
29	A	914	867	86.04
30	A	869	825	82.85
31	A	817	776	49.00
32	A	500	475	3.02
33	A	480	456	22.69
34	A	375	356	35.33
35	A	372	353	22.37
36	A	263	249	7.30
37	A	254	241	38.46
38	A	230	218	24.10
39	A	122	116	6.26

Atom	x (Å)	y (Å)	z (Å)
N1	0.593	1.392	-0.223
H2	-0.195	1.957	0.085
H3	1.415	1.842	0.174
N4	-2.104	-0.107	0.034
H5	-2.176	0.826	-0.363
H6	-2.237	-0.016	1.040
C7	-0.772	-0.685	-0.237
H8	-0.782	-1.703	0.162
H9	-0.658	-0.752	-1.322
C10	1.744	-0.744	-0.021
H11	1.692	-1.762	0.372
H12	1.856	-0.789	-1.106
H13	2.632	-0.260	0.397
C14	0.471	0.031	0.334
H15	0.375	0.047	1.431

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0171	1.0183	3.0960	2.8290	3.4036	2.4849	3.4079	2.7151	2.4348	3.3930	2.6702	2.6969	1.4755	2.1433
H2	1.0171		1.6167	2.8115	2.3240	2.9953	2.7226	3.7066	3.0877	3.3262	4.1802	3.6279	3.6063	2.0525	2.4051
H3	1.0183	1.6167		4.0252	3.7701	4.1879	3.3670	4.1702	3.6429	2.6139	3.6203	2.9587	2.4394	2.0487	2.4256
N4	3.0960	2.8115	4.0252		1.0163	1.0188	1.4772	2.0763	2.0846	3.9011	4.1553	4.1770	4.7526	2.5959	2.8501
H5	2.8290	2.3240	3.7701	1.0163		1.6374	2.0659	2.9346	2.3902	4.2363	4.7115	4.4059	4.9871	2.8496	3.2145
H6	3.4036	2.9953	4.1879	1.0188	1.6374		2.0553	2.3941	2.9347	4.1837	4.3510	4.6854	4.9174	2.7985	2.6419
C7	2.4849	2.7226	3.3670	1.4772	2.0659	2.0553		1.0935	1.0928	2.5262	2.7576	2.7698	3.4885	1.5435	2.1529
H8	3.4079	3.7066	4.1702	2.0763	2.9346	2.3941	1.0935		1.7664	2.7081	2.4836	3.0662	3.7135	2.1456	2.4516
H9	2.7151	3.0877	3.6429	2.0846	2.3902	2.9347	1.0928	1.7664		2.7326	3.0686	2.5240	3.7449	2.1520	3.0477
C10	2.4348	3.3262	2.6139	3.9011	4.2363	4.1837	2.5262	2.7081	2.7326		1.0929	1.0921	1.0936	1.5322	2.1465
H11	3.3930	4.1802	3.6203	4.1553	4.7115	4.3510	2.7576	2.4836	3.0686	1.0929		1.7778	1.7720	2.1700	2.4756
H12	2.6702	3.6279	2.9587	4.1770	4.4059	4.6854	2.7698	3.0662	2.5240	1.0921	1.7778		1.7717	2.1596	3.0543
H13	2.6969	3.6063	2.4394	4.7526	4.9871	4.9174	3.4885	3.7135	3.7449	1.0936	1.7720	1.7717		2.1819	2.5018
C14	1.4755	2.0525	2.0487	2.5959	2.8496	2.7985	1.5435	2.1456	2.1520	1.5322	2.1700	2.1596	2.1819		1.1017
H15	2.1433	2.4051	2.4256	2.8501	3.2145	2.6419	2.1529	2.4516	3.0477	2.1465	2.4756	3.0543	2.5018	1.1017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	110.764	N1	C14	C10	108.080
N1	C14	H15	111.708	H2	N1	H3	105.182
H2	N1	C14	109.486	H3	N1	C14	109.092
N4	C7	H8	106.792	N4	C7	H9	107.466
N4	C7	C14	118.474	H5	N4	H6	107.145
H5	N4	C7	110.529	H6	N4	C7	109.487
C7	C14	C10	110.435	C7	C14	H15	107.784
H8	C7	H9	107.795	H8	C7	C14	107.686
H9	C7	C14	108.211	C10	C14	H15	108.045
H11	C10	H12	108.905	H11	C10	H13	108.272
H11	C10	C14	110.388	H12	C10	H13	108.307
H12	C10	C14	109.613	H13	C10	C14	111.293

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

using model chemistry: B2PLYP/6-31G*

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	-0.771
2	H	0.300
3	H	0.312
4	N	-0.772
5	H	0.317
6	H	0.303
7	C	-0.116
8	H	0.145
9	H	0.159
10	C	-0.467
11	H	0.153
12	H	0.167
13	H	0.145
14	C	0.014
15	H	0.110

	x	y	z
x	7.486	-0.230	-0.126
y	-0.230	6.970	-0.091
z	-0.126	-0.091	6.089

<r²>	143.772
(<r²>)^1/2	11.990

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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