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	hartrees
Energy at 0K	-226.794409
Energy at 298.15K	-226.806605
Nuclear repulsion energy	189.823902

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3497	3236	18.89
2	A	3391	3138	29.30
3	A	3364	3112	3.20
4	A	3360	3109	3.53
5	A	3326	3077	3.64
6	A	3313	3065	22.61
7	A	3246	3003	6.27
8	A	3215	2975	11.41
9	A	3198	2958	3.74
10	A	3186	2947	32.16
11	A	1829	1692	3.82
12	A	1796	1662	4.36
13	A	1641	1518	3.83
14	A	1640	1517	1.79
15	A	1608	1488	0.91
16	A	1518	1404	0.66
17	A	1499	1387	18.79
18	A	1464	1355	4.59
19	A	1433	1326	1.27
20	A	1387	1283	33.87
21	A	1355	1254	6.24
22	A	1272	1177	62.54
23	A	1238	1146	6.33
24	A	1147	1061	2.20
25	A	1110	1027	5.69
26	A	1061	982	9.61
27	A	1019	943	36.62
28	A	968	895	42.73
29	A	919	850	9.35
30	A	900	833	7.34
31	A	817	756	9.73
32	A	499	462	11.97
33	A	450	416	10.98
34	A	439	406	36.71
35	A	347	321	9.52
36	A	308	285	30.43
37	A	246	228	10.48
38	A	208	192	0.12
39	A	138	127	3.91

Atom	x (Å)	y (Å)	z (Å)
N1	-0.216	1.449	0.107
H2	-0.960	2.041	-0.395
H3	-0.580	1.463	1.118
N4	2.081	-0.104	0.030
H5	1.709	0.912	0.154
H6	2.207	-0.116	-1.044
C7	0.742	-0.852	0.203
H8	0.789	-1.848	-0.290
H9	0.581	-1.011	1.296
C10	-1.882	-0.590	0.043
H11	-1.991	-1.627	-0.337
H12	-1.985	-0.611	1.147
H13	-2.707	0.022	-0.377
C14	-0.479	-0.002	-0.370
H15	-0.409	0.025	-1.485

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0746	1.0751	2.7743	1.9991	3.1053	2.4936	3.4695	2.8457	2.6339	3.5787	2.9080	2.9115	1.5498	2.1440
H2	1.0746		1.6634	3.7456	2.9491	3.8857	3.4082	4.2650	3.8133	2.8217	3.8098	3.2344	2.6699	2.0985	2.3565
H3	1.0751	1.6634		3.2749	2.5445	3.8647	2.8183	3.8501	2.7387	2.6587	3.6954	2.5058	2.9731	2.0912	2.9787
N4	2.7743	3.7456	3.2749		1.0899	1.0815	1.5436	2.1939	2.1616	3.9933	4.3631	4.2474	4.8076	2.5934	2.9174
H5	1.9991	2.9491	2.5445	1.0899		1.6554	2.0125	2.9436	2.5047	3.8947	4.5144	4.1178	4.5365	2.4287	2.8208
H6	3.1053	3.8857	3.8647	1.0815	1.6554		2.0596	2.3616	2.9858	4.2572	4.5168	4.7556	4.9608	2.7710	2.6558
C7	2.4936	3.4082	2.8183	1.5436	2.0125	2.0596		1.1131	1.1155	2.6418	2.8915	2.8955	3.6049	1.5938	2.2226
H8	3.4695	4.2650	3.8501	2.1939	2.9436	2.3616	1.1131		1.8054	2.9713	2.7892	3.3601	3.9658	2.2409	2.5238
H9	2.8457	3.8133	2.7387	2.1616	2.5047	2.9858	1.1155	1.8054		2.7957	3.1084	2.6015	3.8314	2.2173	3.1276
C10	2.6339	2.8217	2.6587	3.9933	3.8947	4.2572	2.6418	2.9713	2.7957		1.1093	1.1094	1.1097	1.5766	2.2096
H11	3.5787	3.8098	3.6954	4.3631	4.5144	4.5168	2.8915	2.7892	3.1084	1.1093		1.7981	1.7979	2.2198	2.5592
H12	2.9080	3.2344	2.5058	4.2474	4.1178	4.7556	2.8955	3.3601	2.6015	1.1094	1.7981		1.8018	2.2232	3.1330
H13	2.9115	2.6699	2.9731	4.8076	4.5365	4.9608	3.6049	3.9658	3.8314	1.1097	1.7979	1.8018		2.2285	2.5514
C14	1.5498	2.0985	2.0912	2.5934	2.4287	2.7710	1.5938	2.2409	2.2173	1.5766	2.2198	2.2232	2.2285		1.1168
H15	2.1440	2.3565	2.9787	2.9174	2.8208	2.6558	2.2226	2.5238	3.1276	2.2096	2.5592	3.1330	2.5514	1.1168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	104.972	N1	C14	C10	114.804
N1	C14	H15	105.889	H2	N1	H3	101.389
H2	N1	C14	104.731	H3	N1	C14	104.166
N4	C7	H8	110.291	N4	C7	H9	107.671
N4	C7	C14	111.491	H5	N4	H6	99.351
H5	N4	C7	98.190	H6	N4	C7	101.919
C7	C14	C10	112.871	C7	C14	H15	108.890
H8	C7	H9	108.210	H8	C7	C14	110.503
H9	C7	C14	108.558	C10	C14	H15	109.043
H11	C10	H12	108.272	H11	C10	H13	108.234
H11	C10	C14	110.259	H12	C10	H13	108.570
H12	C10	C14	110.512	H13	C10	C14	110.913

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

using model chemistry: BLYP/STO-3G

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	-0.351
2	H	0.149
3	H	0.149
4	N	-0.352
5	H	0.159
6	H	0.126
7	C	-0.076
8	H	0.069
9	H	0.066
10	C	-0.222
11	H	0.078
12	H	0.070
13	H	0.069
14	C	0.000
15	H	0.067

	x	y	z	Total
	-3.132	0.413	-0.710	3.238
CHELPG
AIM
ESP

	x	y	z
x	4.268	-0.109	-0.221
y	-0.109	4.263	0.104
z	-0.221	0.104	3.775

<r²>	146.850
(<r²>)^1/2	12.118

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

using model chemistry: BLYP/STO-3G

States and conformations

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