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	hartrees
Energy at 0K	-229.709093
Energy at 298.15K	-229.721706
HF Energy	-229.709093
Nuclear repulsion energy	195.607629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3595	3405	0.22
2	A	3588	3398	0.22
3	A	3505	3319	0.74
4	A	3498	3313	0.63
5	A	3162	2995	24.35
6	A	3148	2981	26.50
7	A	3136	2970	23.04
8	A	3082	2919	38.20
9	A	3073	2910	14.18
10	A	2975	2818	76.61
11	A	1702	1612	11.57
12	A	1687	1597	57.46
13	A	1532	1450	2.79
14	A	1520	1439	5.00
15	A	1506	1426	0.51
16	A	1448	1371	1.99
17	A	1431	1355	15.46
18	A	1413	1338	5.54
19	A	1394	1321	7.68
20	A	1356	1284	11.06
21	A	1280	1212	1.27
22	A	1227	1162	4.44
23	A	1194	1131	7.28
24	A	1144	1084	10.84
25	A	1061	1005	14.95
26	A	1046	991	1.90
27	A	978	926	13.34
28	A	934	885	132.40
29	A	905	857	89.12
30	A	866	820	66.04
31	A	819	776	62.51
32	A	504	477	4.30
33	A	480	454	20.52
34	A	388	367	59.65
35	A	375	355	2.46
36	A	270	256	7.54
37	A	257	243	51.99
38	A	222	210	11.02
39	A	130	123	5.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.580	1.388	-0.224
H2	-0.208	1.950	0.090
H3	1.404	1.841	0.167
N4	-2.093	-0.108	0.032
H5	-2.160	0.820	-0.375
H6	-2.222	-0.008	1.038
C7	-0.766	-0.690	-0.234
H8	-0.773	-1.707	0.170
H9	-0.648	-0.761	-1.320
C10	1.740	-0.736	-0.022
H11	1.693	-1.755	0.371
H12	1.845	-0.779	-1.109
H13	2.627	-0.247	0.391
C14	0.468	0.032	0.337
H15	0.374	0.051	1.435

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0173	1.0183	3.0739	2.8028	3.3755	2.4761	3.4010	2.7074	2.4291	3.3874	2.6609	2.6917	1.4717	2.1409
H2	1.0173		1.6177	2.7913	2.3030	2.9646	2.7176	3.7010	3.0872	3.3202	4.1738	3.6192	3.5997	2.0483	2.3988
H3	1.0183	1.6177		4.0058	3.7473	4.1628	3.3582	4.1631	3.6325	2.6060	3.6139	2.9474	2.4306	2.0440	2.4241
N4	3.0739	2.7913	4.0058		1.0167	1.0190	1.4730	2.0770	2.0834	3.8845	4.1420	4.1540	4.7356	2.5825	2.8415
H5	2.8028	2.3030	3.7473	1.0167		1.6397	2.0607	2.9339	2.3833	4.2148	4.6946	4.3748	4.9649	2.8350	3.2079
H6	3.3755	2.9646	4.1628	1.0190	1.6397		2.0506	2.3953	2.9332	4.1658	4.3385	4.6630	4.8981	2.7802	2.6263
C7	2.4761	2.7176	3.3582	1.4730	2.0607	2.0506		1.0942	1.0939	2.5157	2.7470	2.7547	3.4787	1.5396	2.1526
H8	3.4010	3.7010	4.1631	2.0770	2.9339	2.3953	1.0942		1.7688	2.7017	2.4750	3.0582	3.7075	2.1433	2.4505
H9	2.7074	3.0872	3.6325	2.0834	2.3833	2.9332	1.0939	1.7688		2.7186	3.0541	2.5020	3.7312	2.1493	3.0481
C10	2.4291	3.3202	2.6060	3.8845	4.2148	4.1658	2.5157	2.7017	2.7186		1.0934	1.0930	1.0939	1.5291	2.1471
H11	3.3874	4.1738	3.6139	4.1420	4.6946	4.3385	2.7470	2.4750	3.0541	1.0934		1.7798	1.7743	2.1671	2.4766
H12	2.6609	3.6192	2.9474	4.1540	4.3748	4.6630	2.7547	3.0582	2.5020	1.0930	1.7798		1.7739	2.1550	3.0537
H13	2.6917	3.5997	2.4306	4.7356	4.9649	4.8981	3.4787	3.7075	3.7312	1.0939	1.7743	1.7739		2.1780	2.5015
C14	1.4717	2.0483	2.0440	2.5825	2.8350	2.7802	1.5396	2.1433	2.1493	1.5291	2.1671	2.1550	2.1780		1.1024
H15	2.1409	2.3988	2.4241	2.8415	3.2079	2.6263	2.1526	2.4505	3.0481	2.1471	2.4766	3.0537	2.5015	1.1024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	110.606	N1	C14	C10	108.081
N1	C14	H15	111.749	H2	N1	H3	105.261
H2	N1	C14	109.406	H3	N1	C14	108.984
N4	C7	H8	107.077	N4	C7	H9	107.591
N4	C7	C14	117.994	H5	N4	H6	107.309
H5	N4	C7	110.377	H6	N4	C7	109.389
C7	C14	C10	110.127	C7	C14	H15	107.985
H8	C7	H9	107.870	H8	C7	C14	107.727
H9	C7	C14	108.207	C10	C14	H15	108.268
H11	C10	H12	108.985	H11	C10	H13	108.428
H11	C10	C14	110.350	H12	C10	H13	108.416
H12	C10	C14	109.420	H13	C10	C14	111.188

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

using model chemistry: M06-2X/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	-0.756
2	H	0.299
3	H	0.314
4	N	-0.757
5	H	0.318
6	H	0.305
7	C	-0.141
8	H	0.151
9	H	0.163
10	C	-0.483
11	H	0.161
12	H	0.173
13	H	0.153
14	C	-0.015
15	H	0.116

	x	y	z	Total
	1.135	1.209	1.764	2.421
CHELPG
AIM
ESP

	x	y	z
x	7.499	-0.252	-0.143
y	-0.252	7.004	-0.093
z	-0.143	-0.093	6.173

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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