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	hartrees
Energy at 0K	-228.304040
Energy at 298.15K	-228.316904
HF Energy	-228.304040
Nuclear repulsion energy	195.890289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3822	3434	0.51
2	A	3810	3423	0.14
3	A	3732	3353	0.37
4	A	3727	3349	0.65
5	A	3278	2946	65.91
6	A	3262	2931	20.91
7	A	3259	2928	52.25
8	A	3216	2890	52.25
9	A	3200	2876	25.29
10	A	3100	2785	94.86
11	A	1843	1656	21.95
12	A	1831	1645	52.19
13	A	1647	1480	1.55
14	A	1639	1473	3.54
15	A	1630	1465	0.11
16	A	1577	1417	1.25
17	A	1560	1402	10.63
18	A	1537	1381	13.21
19	A	1511	1357	4.96
20	A	1478	1328	15.70
21	A	1378	1238	0.62
22	A	1321	1187	8.12
23	A	1271	1142	9.74
24	A	1194	1073	17.91
25	A	1142	1026	16.91
26	A	1102	991	2.50
27	A	1035	930	12.52
28	A	997	896	118.70
29	A	966	868	134.44
30	A	932	837	80.95
31	A	861	773	61.39
32	A	527	473	0.82
33	A	505	454	21.35
34	A	398	357	0.97
35	A	374	336	60.74
36	A	280	252	14.23
37	A	269	242	32.25
38	A	243	219	24.84
39	A	130	117	5.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.495	1.382	-0.215
H2	-0.258	1.932	0.151
H3	1.341	1.852	0.044
N4	-2.048	-0.127	0.032
H5	-2.151	0.739	-0.459
H6	-2.197	0.047	1.007
C7	-0.746	-0.722	-0.217
H8	-0.753	-1.726	0.199
H9	-0.630	-0.820	-1.291
C10	1.760	-0.686	-0.028
H11	1.760	-1.705	0.346
H12	1.885	-0.713	-1.105
H13	2.623	-0.180	0.398
C14	0.465	0.032	0.339
H15	0.380	0.044	1.430

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0014	1.0022	2.9670	2.7338	3.2433	2.4430	3.3744	2.6966	2.4317	3.3830	2.6673	2.7102	1.4591	2.1235
H2	1.0014		1.6043	2.7314	2.3199	2.8369	2.7242	3.6919	3.1293	3.3106	4.1641	3.6287	3.5809	2.0418	2.3684
H3	1.0022	1.6043		3.9246	3.6997	4.0867	3.3246	4.1488	3.5788	2.5736	3.5946	2.8630	2.4289	2.0410	2.4725
N4	2.9670	2.7314	3.9246		1.0007	1.0021	1.4526	2.0637	2.0589	3.8494	4.1336	4.1358	4.6854	2.5370	2.8075
H5	2.7338	2.3199	3.6997	1.0007		1.6223	2.0412	2.9086	2.3312	4.1850	4.6813	4.3377	4.9366	2.8253	3.2344
H6	3.2433	2.8369	4.0867	1.0021	1.6223		2.0479	2.4246	2.9132	4.1551	4.3771	4.6585	4.8632	2.7448	2.6114
C7	2.4430	2.7242	3.3246	1.4526	2.0412	2.0479		1.0861	1.0845	2.5140	2.7500	2.7774	3.4674	1.5318	2.1380
H8	3.3744	3.6919	4.1488	2.0637	2.9086	2.4246	1.0861		1.7476	2.7297	2.5175	3.1127	3.7185	2.1438	2.4363
H9	2.6966	3.1293	3.5788	2.0589	2.3312	2.9132	1.0845	1.7476		2.7069	3.0288	2.5244	3.7204	2.1405	3.0287
C10	2.4317	3.3106	2.5736	3.8494	4.1850	4.1551	2.5140	2.7297	2.7069		1.0854	1.0851	1.0866	1.5254	2.1363
H11	3.3830	4.1641	3.5946	4.1336	4.6813	4.3771	2.7500	2.5175	3.0288	1.0854		1.7625	1.7529	2.1664	2.4777
H12	2.6673	3.6287	2.8630	4.1358	4.3377	4.6585	2.7774	3.1127	2.5244	1.0851	1.7625		1.7568	2.1578	3.0443
H13	2.7102	3.5809	2.4289	4.6854	4.9366	4.8632	3.4674	3.7185	3.7204	1.0866	1.7529	1.7568		2.1687	2.4792
C14	1.4591	2.0418	2.0410	2.5370	2.8253	2.7448	1.5318	2.1438	2.1405	1.5254	2.1664	2.1578	2.1687		1.0951
H15	2.1235	2.3684	2.4725	2.8075	3.2344	2.6114	2.1380	2.4363	3.0287	2.1363	2.4777	3.0443	2.4792	1.0951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.506	N1	C14	C10	109.112
N1	C14	H15	111.690	H2	N1	H3	106.393
H2	N1	C14	110.782	H3	N1	C14	110.669
N4	C7	H8	107.886	N4	C7	H9	107.603
N4	C7	C14	116.415	H5	N4	H6	108.188
H5	N4	C7	111.278	H6	N4	C7	111.764
C7	C14	C10	110.634	C7	C14	H15	107.791
H8	C7	H9	107.240	H8	C7	C14	108.752
H9	C7	C14	108.590	C10	C14	H15	108.100
H11	C10	H12	108.585	H11	C10	H13	107.611
H11	C10	C14	111.035	H12	C10	H13	107.987
H12	C10	C14	110.362	H13	C10	C14	111.147

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

using model chemistry: HF/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	-0.847
2	H	0.327
3	H	0.337
4	N	-0.851
5	H	0.340
6	H	0.328
7	C	-0.104
8	H	0.158
9	H	0.173
10	C	-0.490
11	H	0.162
12	H	0.177
13	H	0.156
14	C	0.006
15	H	0.127

	x	y	z	Total
	1.111	1.159	1.840	2.441
CHELPG	1.084	1.176	1.810	2.416
AIM
ESP	1.097	1.166	1.807	2.414

	x	y	z
x	6.987	-0.243	-0.136
y	-0.243	6.578	-0.109
z	-0.136	-0.109	5.850

<r²>	143.330
(<r²>)^1/2	11.972

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

using model chemistry: HF/6-31G*

States and conformations

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