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	hartrees
Energy at 0K	-228.330035
Energy at 298.15K	-228.342918
Nuclear repulsion energy	195.683752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3799	3450	0.83
2	A	3790	3441	0.37
3	A	3719	3377	0.39
4	A	3711	3370	0.41
5	A	3257	2958	53.67
6	A	3240	2942	48.67
7	A	3231	2933	32.29
8	A	3184	2891	57.25
9	A	3171	2880	22.57
10	A	3067	2785	97.63
11	A	1791	1626	9.58
12	A	1782	1618	49.81
13	A	1600	1453	1.37
14	A	1592	1445	5.57
15	A	1585	1439	0.12
16	A	1553	1410	0.13
17	A	1524	1384	18.45
18	A	1506	1367	6.47
19	A	1490	1353	6.05
20	A	1451	1317	15.40
21	A	1363	1238	0.73
22	A	1302	1183	8.29
23	A	1262	1145	11.30
24	A	1192	1082	20.10
25	A	1131	1027	17.63
26	A	1096	995	2.69
27	A	1026	932	10.61
28	A	995	904	115.85
29	A	966	877	114.92
30	A	930	844	51.30
31	A	861	781	40.96
32	A	525	477	0.13
33	A	504	457	18.86
34	A	396	360	0.78
35	A	372	338	47.68
36	A	281	255	9.52
37	A	266	242	26.97
38	A	241	219	22.55
39	A	127	115	4.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.496	1.383	-0.221
H2	-0.268	1.926	0.142
H3	1.331	1.859	0.078
N4	-2.049	-0.129	0.034
H5	-2.141	0.749	-0.446
H6	-2.178	0.054	1.016
C7	-0.748	-0.722	-0.219
H8	-0.749	-1.733	0.198
H9	-0.632	-0.822	-1.301
C10	1.760	-0.686	-0.025
H11	1.757	-1.711	0.351
H12	1.894	-0.712	-1.109
H13	2.624	-0.176	0.409
C14	0.464	0.033	0.333
H15	0.376	0.044	1.433

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0055	1.0062	2.9719	2.7214	3.2317	2.4448	3.3812	2.7022	2.4317	3.3896	2.6702	2.7120	1.4595	2.1303
H2	1.0055		1.6016	2.7215	2.2881	2.8127	2.7146	3.6903	3.1248	3.3108	4.1684	3.6328	3.5857	2.0389	2.3707
H3	1.0062	1.6016		3.9218	3.6819	4.0552	3.3273	4.1524	3.5979	2.5832	3.6064	2.8877	2.4345	2.0377	2.4574
N4	2.9719	2.7215	3.9218		1.0051	1.0066	1.4522	2.0708	2.0667	3.8501	4.1345	4.1468	4.6889	2.5366	2.8047
H5	2.7214	2.2881	3.6819	1.0051		1.6186	2.0380	2.9169	2.3397	4.1771	4.6777	4.3417	4.9285	2.8116	3.2182
H6	3.2317	2.8127	4.0552	1.0066	1.6186		2.0426	2.4299	2.9196	4.1396	4.3642	4.6562	4.8458	2.7290	2.5874
C7	2.4448	2.7146	3.3273	1.4522	2.0380	2.0426		1.0936	1.0925	2.5155	2.7533	2.7876	3.4733	1.5309	2.1396
H8	3.3812	3.6903	4.1524	2.0708	2.9169	2.4299	1.0936		1.7575	2.7278	2.5113	3.1201	3.7212	2.1465	2.4390
H9	2.7022	3.1248	3.5979	2.0667	2.3397	2.9196	1.0925	1.7575		2.7144	3.0378	2.5357	3.7343	2.1455	3.0395
C10	2.4317	3.3108	2.5832	3.8501	4.1771	4.1396	2.5155	2.7278	2.7144		1.0922	1.0924	1.0933	1.5241	2.1386
H11	3.3896	4.1684	3.6064	4.1345	4.6777	4.3642	2.7533	2.5113	3.0378	1.0922		1.7742	1.7639	2.1712	2.4824
H12	2.6702	3.6328	2.8877	4.1468	4.3417	4.6562	2.7876	3.1201	2.5357	1.0924	1.7742		1.7676	2.1628	3.0554
H13	2.7120	3.5857	2.4345	4.6889	4.9285	4.8458	3.4733	3.7212	3.7343	1.0933	1.7639	1.7676		2.1714	2.4804
C14	1.4595	2.0389	2.0377	2.5366	2.8116	2.7290	1.5309	2.1465	2.1455	1.5241	2.1712	2.1628	2.1714		1.1030
H15	2.1303	2.3707	2.4574	2.8047	3.2182	2.5874	2.1396	2.4390	3.0395	2.1386	2.4824	3.0554	2.4804	1.1030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.657	N1	C14	C10	109.159
N1	C14	H15	111.714	H2	N1	H3	105.528
H2	N1	C14	110.251	H3	N1	C14	110.103
N4	C7	H8	108.032	N4	C7	H9	107.774
N4	C7	C14	116.462	H5	N4	H6	107.141
H5	N4	C7	110.749	H6	N4	C7	111.043
C7	C14	C10	110.853	C7	C14	H15	107.535
H8	C7	H9	107.015	H8	C7	C14	108.603
H9	C7	C14	108.576	C10	C14	H15	107.912
H11	C10	H12	108.609	H11	C10	H13	107.623
H11	C10	C14	111.089	H12	C10	H13	107.942
H12	C10	C14	110.415	H13	C10	C14	111.045

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

using model chemistry: HF/cc-pVDZ

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	CHELPG
1	N	-0.248	-0.918
2	H	0.075	0.296
3	H	0.087	0.345
4	N	-0.292	-0.956
5	H	0.091	0.357
6	H	0.083	0.327
7	C	0.158	0.420
8	H	0.023	-0.044
9	H	0.032	-0.025
10	C	0.004	-0.347
11	H	0.028	0.049
12	H	0.038	0.086
13	H	0.022	0.099
14	C	-0.093	0.379
15	H	-0.007	-0.068

	x	y	z	Total
	0.927	1.092	1.673	2.203
CHELPG
AIM
ESP

	x	y	z
x	7.413	-0.256	-0.112
y	-0.256	6.953	-0.021
z	-0.112	-0.021	6.184

<r²>	143.325
(<r²>)^1/2	11.972

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

using model chemistry: HF/cc-pVDZ

States and conformations

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