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	hartrees
Energy at 0K	-229.603129
Energy at 298.15K	-229.615612
HF Energy	-229.603129
Nuclear repulsion energy	195.347790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3658	3493	2.85
2	A	3637	3473	2.01
3	A	3552	3391	0.45
4	A	3546	3386	0.42
5	A	3147	3005	26.10
6	A	3133	2992	29.68
7	A	3110	2969	25.56
8	A	3057	2919	50.35
9	A	3052	2914	14.85
10	A	2936	2803	86.00
11	A	1669	1594	5.94
12	A	1660	1585	79.02
13	A	1503	1435	4.36
14	A	1493	1425	8.23
15	A	1475	1408	1.22
16	A	1423	1359	3.02
17	A	1408	1344	18.40
18	A	1395	1332	6.54
19	A	1374	1312	11.80
20	A	1341	1280	6.67
21	A	1263	1206	1.06
22	A	1205	1150	2.49
23	A	1184	1130	6.59
24	A	1135	1083	24.50
25	A	1051	1003	9.18
26	A	1028	981	0.93
27	A	961	917	2.50
28	A	891	850	26.73
29	A	869	830	75.43
30	A	823	786	103.83
31	A	767	732	168.07
32	A	497	474	1.86
33	A	471	450	23.04
34	A	370	354	1.97
35	A	352	336	54.36
36	A	261	249	15.87
37	A	244	233	26.77
38	A	222	212	22.46
39	A	125	119	4.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.590	1.390	-0.219
H2	-0.200	1.959	0.072
H3	1.413	1.845	0.167
N4	-2.095	-0.107	0.035
H5	-2.176	0.825	-0.359
H6	-2.242	-0.030	1.038
C7	-0.769	-0.683	-0.240
H8	-0.777	-1.703	0.157
H9	-0.654	-0.747	-1.326
C10	1.739	-0.743	-0.020
H11	1.685	-1.762	0.374
H12	1.853	-0.788	-1.106
H13	2.627	-0.259	0.399
C14	0.469	0.031	0.333
H15	0.372	0.050	1.431

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0160	1.0163	3.0843	2.8268	3.4086	2.4785	3.4023	2.7091	2.4307	3.3889	2.6694	2.6930	1.4713	2.1365
H2	1.0160		1.6192	2.8038	2.3192	3.0106	2.7206	3.7084	3.0798	3.3268	4.1820	3.6260	3.6082	2.0570	2.4118
H3	1.0163	1.6192		4.0162	3.7680	4.1994	3.3635	4.1691	3.6355	2.6145	3.6227	2.9573	2.4404	2.0509	2.4294
N4	3.0843	2.8038	4.0162		1.0150	1.0170	1.4718	2.0739	2.0831	3.8871	4.1408	4.1654	4.7388	2.5850	2.8389
H5	2.8268	2.3192	3.7680	1.0150		1.6396	2.0664	2.9355	2.3929	4.2315	4.7056	4.4040	4.9825	2.8472	3.2089
H6	3.4086	3.0106	4.1994	1.0170	1.6396		2.0567	2.3924	2.9372	4.1808	4.3435	4.6842	4.9167	2.8023	2.6446
C7	2.4785	2.7206	3.3635	1.4718	2.0664	2.0567		1.0945	1.0944	2.5184	2.7502	2.7630	3.4815	1.5395	2.1517
H8	3.4023	3.7084	4.1691	2.0739	2.9355	2.3924	1.0945		1.7684	2.6989	2.4725	3.0571	3.7056	2.1428	2.4532
H9	2.7091	3.0798	3.6355	2.0831	2.3929	2.9372	1.0944	1.7684		2.7265	3.0645	2.5164	3.7389	2.1491	3.0479
C10	2.4307	3.3268	2.6145	3.8871	4.2315	4.1808	2.5184	2.6989	2.7265		1.0938	1.0934	1.0943	1.5287	2.1456
H11	3.3889	4.1820	3.6227	4.1408	4.7056	4.3435	2.7502	2.4725	3.0645	1.0938		1.7795	1.7735	2.1672	2.4753
H12	2.6694	3.6260	2.9573	4.1654	4.4040	4.6842	2.7630	3.0571	2.5164	1.0934	1.7795		1.7736	2.1580	3.0552
H13	2.6930	3.6082	2.4404	4.7388	4.9825	4.9167	3.4815	3.7056	3.7389	1.0943	1.7735	1.7736		2.1788	2.4996
C14	1.4713	2.0570	2.0509	2.5850	2.8472	2.8023	1.5395	2.1428	2.1491	1.5287	2.1672	2.1580	2.1788		1.1028
H15	2.1365	2.4118	2.4294	2.8389	3.2089	2.6446	2.1517	2.4532	3.0479	2.1456	2.4753	3.0552	2.4996	1.1028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	110.796	N1	C14	C10	108.227
N1	C14	H15	111.403	H2	N1	H3	105.646
H2	N1	C14	110.243	H3	N1	C14	109.717
N4	C7	H8	106.911	N4	C7	H9	107.625
N4	C7	C14	118.262	H5	N4	H6	107.585
H5	N4	C7	111.063	H6	N4	C7	110.112
C7	C14	C10	110.333	C7	C14	H15	107.901
H8	C7	H9	107.785	H8	C7	C14	107.684
H9	C7	C14	108.169	C10	C14	H15	108.154
H11	C10	H12	108.900	H11	C10	H13	108.293
H11	C10	C14	110.359	H12	C10	H13	108.325
H12	C10	C14	109.653	H13	C10	C14	111.249

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.608
2	H	0.287
3	H	0.291
4	N	-0.655
5	H	0.304
6	H	0.295
7	C	-0.285
8	H	0.154
9	H	0.168
10	C	-0.631
11	H	0.165
12	H	0.183
13	H	0.157
14	C	0.041
15	H	0.134

	x	y	z	Total
	1.045	1.041	1.748	2.287
CHELPG
AIM
ESP

	x	y	z
x	8.946	-0.063	-0.019
y	-0.063	8.150	-0.015
z	-0.019	-0.015	7.543

<r²>	144.040
(<r²>)^1/2	12.002

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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