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	hartrees
Energy at 0K	-229.719072
Energy at 298.15K	-229.731422
Nuclear repulsion energy	192.954854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3448	3422	1.84
2	A	3435	3408	2.34
3	A	3357	3332	10.83
4	A	3355	3329	2.66
5	A	3043	3020	34.09
6	A	3026	3003	35.57
7	A	3005	2982	28.72
8	A	2965	2942	36.87
9	A	2956	2933	30.60
10	A	2814	2793	92.50
11	A	1625	1612	1.43
12	A	1614	1602	43.75
13	A	1479	1468	1.77
14	A	1468	1457	2.99
15	A	1450	1438	0.24
16	A	1383	1372	7.35
17	A	1374	1363	0.55
18	A	1366	1356	4.04
19	A	1342	1331	13.46
20	A	1313	1303	15.41
21	A	1238	1228	1.21
22	A	1176	1167	4.35
23	A	1125	1116	2.52
24	A	1061	1052	7.91
25	A	1026	1018	9.51
26	A	986	979	1.36
27	A	926	919	20.74
28	A	888	882	81.58
29	A	865	859	85.72
30	A	815	809	96.00
31	A	768	763	44.26
32	A	477	473	2.45
33	A	460	457	22.25
34	A	360	357	47.70
35	A	356	353	1.48
36	A	252	250	9.86
37	A	244	242	42.06
38	A	218	216	12.67
39	A	115	114	4.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.492	1.403	-0.228
H2	-0.310	1.922	0.149
H3	1.321	1.902	0.118
N4	-2.083	-0.138	0.028
H5	-2.147	0.761	-0.462
H6	-2.198	0.068	1.029
C7	-0.753	-0.736	-0.214
H8	-0.754	-1.753	0.218
H9	-0.633	-0.843	-1.305
C10	1.790	-0.685	-0.032
H11	1.792	-1.722	0.340
H12	1.916	-0.704	-1.126
H13	2.665	-0.173	0.402
C14	0.479	0.031	0.343
H15	0.391	0.032	1.456

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0276	1.0274	3.0121	2.7261	3.2560	2.4745	3.4218	2.7327	2.4661	3.4320	2.6967	2.7571	1.4858	2.1740
H2	1.0276		1.6306	2.7215	2.2581	2.7893	2.7195	3.7028	3.1412	3.3527	4.2117	3.6716	3.6474	2.0582	2.4027
H3	1.0274	1.6306		3.9693	3.6962	4.0714	3.3714	4.2036	3.6573	2.6336	3.6615	2.9485	2.4888	2.0638	2.4800
N4	3.0121	2.7215	3.9693		1.0264	1.0279	1.4788	2.1004	2.0925	3.9118	4.1983	4.2012	4.7630	2.5866	2.8619
H5	2.7261	2.2581	3.6962	1.0264		1.6453	2.0610	2.9537	2.3610	4.2160	4.7253	4.3701	4.9774	2.8417	3.2642
H6	3.2560	2.7893	4.0714	1.0279	1.6453		2.0689	2.4620	2.9543	4.1949	4.4275	4.7087	4.9094	2.7638	2.6250
C7	2.4745	2.7195	3.3714	1.4788	2.0610	2.0689		1.1046	1.1035	2.5492	2.7848	2.8208	3.5178	1.5536	2.1646
H8	3.4218	3.7028	4.2036	2.1004	2.9537	2.4620	1.1046		1.7784	2.7695	2.5489	3.1678	3.7704	2.1719	2.4557
H9	2.7327	3.1412	3.6573	2.0925	2.3610	2.9543	1.1035	1.7784		2.7416	3.0601	2.5595	3.7737	2.1717	3.0724
C10	2.4661	3.3527	2.6336	3.9118	4.2160	4.1949	2.5492	2.7695	2.7416		1.1018	1.1018	1.1031	1.5403	2.1640
H11	3.4320	4.2117	3.6615	4.1983	4.7253	4.4275	2.7848	2.5489	3.0601	1.1018		1.7898	1.7791	2.1908	2.5067
H12	2.6967	3.6716	2.9485	4.2012	4.3701	4.7087	2.8208	3.1678	2.5595	1.1018	1.7898		1.7827	2.1830	3.0878
H13	2.7571	3.6474	2.4888	4.7630	4.9774	4.9094	3.5178	3.7704	3.7737	1.1031	1.7791	1.7827		2.1966	2.5142
C14	1.4858	2.0582	2.0638	2.5866	2.8417	2.7638	1.5536	2.1719	2.1717	1.5403	2.1908	2.1830	2.1966		1.1165
H15	2.1740	2.4027	2.4800	2.8619	3.2642	2.6250	2.1646	2.4557	3.0724	2.1640	2.5067	3.0878	2.5142	1.1165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	108.983	N1	C14	C10	109.149
N1	C14	H15	112.544	H2	N1	H3	105.031
H2	N1	C14	108.574	H3	N1	C14	109.045
N4	C7	H8	107.909	N4	C7	H9	107.360
N4	C7	C14	117.055	H5	N4	H6	106.432
H5	N4	C7	109.379	H6	N4	C7	109.943
C7	C14	C10	110.961	C7	C14	H15	107.187
H8	C7	H9	107.295	H8	C7	C14	108.393
H9	C7	C14	108.442	C10	C14	H15	108.020
H11	C10	H12	108.625	H11	C10	H13	107.590
H11	C10	C14	110.946	H12	C10	H13	107.902
H12	C10	C14	110.330	H13	C10	C14	111.332

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

using model chemistry: BLYP/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	-0.554
2	H	0.203
3	H	0.218
4	N	-0.561
5	H	0.225
6	H	0.214
7	C	-0.021
8	H	0.080
9	H	0.094
10	C	-0.279
11	H	0.089
12	H	0.105
13	H	0.080
14	C	0.065
15	H	0.041

	x	y	z	Total
	0.903	1.096	1.656	2.182
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>	146.586
(<r²>)^1/2	12.107

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

using model chemistry: BLYP/6-31G**

States and conformations

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