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	hartrees
Energy at 0K	-229.761286
Energy at 298.15K	-229.773689
HF Energy	-229.761286
Nuclear repulsion energy	194.328291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3503	3453	0.51
2	A	3490	3440	0.87
3	A	3413	3364	7.92
4	A	3411	3363	2.05
5	A	3053	3010	42.22
6	A	3039	2995	43.35
7	A	3018	2975	33.07
8	A	2974	2932	53.93
9	A	2967	2925	27.93
10	A	2834	2793	100.58
11	A	1635	1612	2.89
12	A	1625	1602	54.19
13	A	1476	1455	3.39
14	A	1464	1443	5.25
15	A	1447	1426	0.62
16	A	1381	1361	4.97
17	A	1377	1357	7.95
18	A	1370	1351	1.37
19	A	1344	1325	12.75
20	A	1316	1297	9.14
21	A	1246	1228	1.34
22	A	1184	1167	3.21
23	A	1135	1119	2.97
24	A	1074	1059	10.51
25	A	1034	1019	9.96
26	A	998	984	1.10
27	A	934	921	14.41
28	A	892	879	73.53
29	A	869	857	88.78
30	A	820	808	103.72
31	A	776	765	58.26
32	A	484	477	1.45
33	A	463	457	21.09
34	A	363	357	3.39
35	A	358	353	45.13
36	A	255	252	5.04
37	A	236	233	37.28
38	A	217	214	18.49
39	A	112	111	5.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.482	1.393	-0.225
H2	-0.309	1.913	0.151
H3	1.313	1.887	0.098
N4	-2.064	-0.137	0.029
H5	-2.138	0.745	-0.474
H6	-2.180	0.074	1.020
C7	-0.745	-0.735	-0.211
H8	-0.745	-1.748	0.218
H9	-0.620	-0.840	-1.298
C10	1.777	-0.677	-0.032
H11	1.778	-1.714	0.327
H12	1.901	-0.682	-1.122
H13	2.647	-0.169	0.407
C14	0.474	0.031	0.342
H15	0.386	0.035	1.450

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0193	1.0191	2.9810	2.7104	3.2214	2.4566	3.4008	2.7117	2.4494	3.4108	2.6687	2.7429	1.4754	2.1581
H2	1.0193		1.6236	2.7006	2.2577	2.7632	2.7081	3.6873	3.1268	3.3314	4.1881	3.6389	3.6249	2.0477	2.3866
H3	1.0191	1.6236		3.9373	3.6795	4.0421	3.3476	4.1785	3.6226	2.6091	3.6378	2.9041	2.4702	2.0515	2.4730
N4	2.9810	2.7006	3.9373		1.0181	1.0196	1.4683	2.0913	2.0831	3.8797	4.1635	4.1646	4.7259	2.5627	2.8374
H5	2.7104	2.2577	3.6795	1.0181		1.6384	2.0500	2.9391	2.3444	4.1892	4.6927	4.3324	4.9503	2.8284	3.2522
H6	3.2214	2.7632	4.0421	1.0196	1.6384		2.0568	2.4544	2.9394	4.1636	4.3980	4.6710	4.8720	2.7398	2.6024
C7	2.4566	2.7081	3.3476	1.4683	2.0500	2.0568		1.0998	1.0987	2.5294	2.7586	2.7991	3.4936	1.5423	2.1521
H8	3.4008	3.6873	4.1785	2.0913	2.9391	2.4544	1.0998		1.7710	2.7513	2.5247	3.1517	3.7455	2.1597	2.4444
H9	2.7117	3.1268	3.6226	2.0831	2.3444	2.9394	1.0987	1.7710		2.7159	3.0252	2.5322	3.7453	2.1552	3.0542
C10	2.4494	3.3314	2.6091	3.8797	4.1892	4.1636	2.5294	2.7513	2.7159		1.0971	1.0973	1.0983	1.5298	2.1544
H11	3.4108	4.1881	3.6378	4.1635	4.6927	4.3980	2.7586	2.5247	3.0252	1.0971		1.7838	1.7741	2.1779	2.5015
H12	2.6687	3.6389	2.9041	4.1646	4.3324	4.6710	2.7991	3.1517	2.5322	1.0973	1.7838		1.7768	2.1655	3.0705
H13	2.7429	3.6249	2.4702	4.7259	4.9503	4.8720	3.4936	3.7455	3.7453	1.0983	1.7741	1.7768		2.1829	2.4984
C14	1.4754	2.0477	2.0515	2.5627	2.8284	2.7398	1.5423	2.1597	2.1552	1.5298	2.1779	2.1655	2.1829		1.1113
H15	2.1581	2.3866	2.4730	2.8374	3.2522	2.6024	2.1521	2.4444	3.0542	2.1544	2.5015	3.0705	2.4984	1.1113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.247	N1	C14	C10	109.224
N1	C14	H15	112.168	H2	N1	H3	105.563
H2	N1	C14	109.333	H3	N1	C14	109.618
N4	C7	H8	108.018	N4	C7	H9	107.565
N4	C7	C14	116.951	H5	N4	H6	107.162
H5	N4	C7	109.938	H6	N4	C7	110.443
C7	C14	C10	110.897	C7	C14	H15	107.212
H8	C7	H9	107.182	H8	C7	C14	108.587
H9	C7	C14	108.145	C10	C14	H15	108.087
H11	C10	H12	108.715	H11	C10	H13	107.730
H11	C10	C14	111.021	H12	C10	H13	108.007
H12	C10	C14	109.914	H13	C10	C14	111.353

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

using model chemistry: B97D3/6-311G**

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	-0.437
2	H	0.166
3	H	0.190
4	N	-0.453
5	H	0.190
6	H	0.180
7	C	-0.066
8	H	0.107
9	H	0.112
10	C	-0.279
11	H	0.104
12	H	0.113
13	H	0.100
14	C	-0.111
15	H	0.083

	x	y	z	Total
	0.879	1.087	1.630	2.148
CHELPG
AIM
ESP

	x	y	z
x	8.782	-0.224	-0.064
y	-0.224	8.052	0.014
z	-0.064	0.014	7.056

<r²>	144.815
(<r²>)^1/2	12.034

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

using model chemistry: B97D3/6-311G**

States and conformations

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