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	hartrees
Energy at 0K	-228.434600
Energy at 298.15K	-228.446801
Nuclear repulsion energy	192.204569

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3369	3351	3.74
2	A	3326	3308	4.80
3	A	3261	3243	7.51
4	A	3236	3218	18.71
5	A	3048	3032	34.07
6	A	3026	3009	19.86
7	A	3023	3006	31.57
8	A	2970	2954	39.57
9	A	2965	2949	25.39
10	A	2809	2794	96.64
11	A	1667	1658	1.57
12	A	1657	1648	36.55
13	A	1534	1525	4.11
14	A	1518	1509	4.53
15	A	1484	1476	1.48
16	A	1413	1405	9.71
17	A	1384	1377	4.25
18	A	1376	1368	1.11
19	A	1349	1341	11.20
20	A	1331	1323	11.87
21	A	1258	1251	1.91
22	A	1189	1183	2.29
23	A	1125	1119	0.11
24	A	1050	1044	5.51
25	A	1031	1025	4.94
26	A	992	987	2.25
27	A	910	905	7.92
28	A	869	864	3.23
29	A	812	807	41.88
30	A	711	707	112.25
31	A	653	649	222.30
32	A	476	473	10.68
33	A	449	447	28.81
34	A	382	380	64.53
35	A	350	349	0.72
36	A	249	248	3.98
37	A	226	225	10.52
38	A	204	203	80.49
39	A	101	101	14.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.449	1.404	-0.213
H2	-0.396	1.897	0.133
H3	1.280	1.949	0.083
N4	-2.075	-0.143	0.016
H5	-2.169	0.733	-0.523
H6	-2.255	0.041	1.019
C7	-0.733	-0.763	-0.204
H8	-0.741	-1.776	0.234
H9	-0.588	-0.848	-1.293
C10	1.814	-0.655	-0.051
H11	1.838	-1.705	0.285
H12	1.898	-0.618	-1.149
H13	2.683	-0.133	0.386
C14	0.489	0.023	0.373
H15	0.414	0.002	1.487

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0378	1.0374	2.9690	2.7205	3.2695	2.4679	3.4249	2.7037	2.4754	3.4413	2.6575	2.7773	1.5005	2.2043
H2	1.0378		1.6775	2.6451	2.2206	2.7731	2.7023	3.6913	3.0993	3.3808	4.2414	3.6374	3.6971	2.0865	2.4664
H3	1.0374	1.6775		3.9544	3.7075	4.1252	3.3895	4.2413	3.6340	2.6617	3.7023	2.9137	2.5292	2.1023	2.5524
N4	2.9690	2.6451	3.9544		1.0339	1.0356	1.4941	2.1197	2.1025	3.9225	4.2211	4.1671	4.7725	2.5937	2.8943
H5	2.7205	2.2206	3.7075	1.0339		1.6933	2.0985	2.9855	2.3651	4.2446	4.7599	4.3314	5.0127	2.8940	3.3542
H6	3.2695	2.7731	4.1252	1.0356	1.6933		2.1115	2.4924	2.9859	4.2644	4.5099	4.7311	4.9823	2.8194	2.7099
C7	2.4679	2.7023	3.3895	1.4941	2.0985	2.1115		1.1042	1.1019	2.5535	2.7812	2.7993	3.5236	1.5630	2.1814
H8	3.4249	3.6913	4.2413	2.1197	2.9855	2.4924	1.1042		1.7933	2.8046	2.5801	3.1966	3.8015	2.1842	2.4630
H9	2.7037	3.0993	3.6340	2.1025	2.3651	2.9859	1.1019	1.7933		2.7105	3.0177	2.5006	3.7455	2.1661	3.0746
C10	2.4754	3.3808	2.6617	3.9225	4.2446	4.2644	2.5535	2.8046	2.7105		1.1029	1.1018	1.1042	1.5473	2.1811
H11	3.4413	4.2414	3.7023	4.2211	4.7599	4.5099	2.7812	2.5801	3.0177	1.1029		1.8004	1.7882	2.1940	2.5272
H12	2.6575	3.6374	2.9137	4.1671	4.3314	4.7311	2.7993	3.1966	2.5006	1.1018	1.8004		1.7904	2.1706	3.0880
H13	2.7773	3.6971	2.5292	4.7725	5.0127	4.9823	3.5236	3.8015	3.7455	1.1042	1.7882	1.7904		2.2001	2.5268
C14	1.5005	2.0865	2.1023	2.5937	2.8940	2.8194	1.5630	2.1842	2.1661	1.5473	2.1940	2.1706	2.2001		1.1172
H15	2.2043	2.4664	2.5524	2.8943	3.3542	2.7099	2.1814	2.4630	3.0746	2.1811	2.5272	3.0880	2.5268	1.1172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	107.314	N1	C14	C10	108.611
N1	C14	H15	113.920	H2	N1	H3	107.864
H2	N1	C14	109.212	H3	N1	C14	110.536
N4	C7	H8	108.400	N4	C7	H9	107.210
N4	C7	C14	116.065	H5	N4	H6	109.808
H5	N4	C7	110.914	H6	N4	C7	111.892
C7	C14	C10	110.368	C7	C14	H15	107.796
H8	C7	H9	108.754	H8	C7	C14	108.732
H9	C7	C14	107.485	C10	C14	H15	108.813
H11	C10	H12	109.497	H11	C10	H13	108.230
H11	C10	C14	110.639	H12	C10	H13	108.510
H12	C10	C14	108.882	H13	C10	C14	111.045

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

using model chemistry: BLYP/3-21G

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	-0.600
2	H	0.226
3	H	0.244
4	N	-0.607
5	H	0.251
6	H	0.241
7	C	-0.182
8	H	0.172
9	H	0.193
10	C	-0.503
11	H	0.171
12	H	0.190
13	H	0.166
14	C	-0.094
15	H	0.133

	x	y	z	Total
	0.819	1.283	1.711	2.290
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	146.851
(<r²>)^1/2	12.118

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

using model chemistry: BLYP/3-21G

States and conformations

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