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	hartrees
Energy at 0K	-228.213106
Energy at 298.15K	-228.225902
Nuclear repulsion energy	196.000906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3909	3529	7.05
2	A	3898	3520	10.39
3	A	3791	3423	1.42
4	A	3779	3412	6.29
5	A	3269	2952	59.74
6	A	3253	2937	20.39
7	A	3247	2931	50.38
8	A	3185	2876	38.43
9	A	3136	2832	84.52
10	A	3066	2769	105.30
11	A	1844	1665	39.22
12	A	1828	1650	55.57
13	A	1664	1502	2.89
14	A	1657	1496	4.81
15	A	1648	1488	1.84
16	A	1578	1425	8.17
17	A	1568	1416	3.49
18	A	1540	1391	25.54
19	A	1521	1373	12.80
20	A	1456	1315	8.85
21	A	1390	1255	1.79
22	A	1314	1186	11.04
23	A	1281	1156	7.25
24	A	1175	1061	31.68
25	A	1145	1034	7.29
26	A	1108	1001	3.65
27	A	1040	939	3.52
28	A	1000	902	9.36
29	A	909	820	14.71
30	A	775	700	256.90
31	A	699	631	303.23
32	A	546	493	22.56
33	A	514	464	9.45
34	A	412	372	17.02
35	A	360	325	54.47
36	A	290	261	2.91
37	A	252	227	0.67
38	A	220	199	21.44
39	A	159	144	2.04

Atom	x (Å)	y (Å)	z (Å)
N1	0.506	1.382	-0.197
H2	-0.381	1.836	-0.187
H3	1.254	1.959	0.119
N4	-1.975	-0.020	0.110
H5	-2.727	-0.090	-0.537
H6	-2.266	-0.130	1.056
C7	-0.735	-0.689	-0.260
H8	-0.716	-1.735	0.046
H9	-0.646	-0.660	-1.339
C10	1.774	-0.694	-0.016
H11	1.779	-1.706	0.376
H12	1.902	-0.732	-1.091
H13	2.630	-0.175	0.402
C14	0.476	0.030	0.333
H15	0.361	0.019	1.422

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		0.9964	0.9960	2.8667	3.5683	3.3975	2.4153	3.3565	2.6081	2.4397	3.3889	2.6862	2.7006	1.4524	2.1211
H2	0.9964		1.6679	2.4652	3.0552	2.9947	2.5507	3.5940	2.7618	3.3282	4.1867	3.5526	3.6682	2.0656	2.5380
H3	0.9960	1.6679		3.7876	4.5248	4.1995	3.3334	4.1866	3.5490	2.7069	3.7111	3.0205	2.5543	2.0907	2.5014
N4	2.8667	2.4652	3.7876		0.9943	0.9959	1.4564	2.1281	2.0677	3.8117	4.1237	4.1205	4.6171	2.4619	2.6798
H5	3.5683	3.0552	4.5248	0.9943		1.6592	2.0977	2.6625	2.3013	4.5712	4.8730	4.7052	5.4391	3.3210	3.6586
H6	3.3975	2.9947	4.1995	0.9959	1.6592		2.0950	2.4493	2.9397	4.2182	4.3941	4.7268	4.9399	2.8406	2.6570
C7	2.4153	2.5507	3.3334	1.4564	2.0977	2.0950		1.0900	1.0824	2.5217	2.7860	2.7650	3.4685	1.5286	2.1295
H8	3.3565	3.5940	4.1866	2.1281	2.6625	2.4493	1.0900		1.7540	2.6995	2.5166	3.0246	3.7089	2.1488	2.4760
H9	2.6081	2.7618	3.5490	2.0677	2.3013	2.9397	1.0824	1.7540		2.7587	3.1490	2.5607	3.7419	2.1286	3.0164
C10	2.4397	3.3282	2.7069	3.8117	4.5712	4.2182	2.5217	2.6995	2.7587		1.0851	1.0835	1.0850	1.5270	2.1385
H11	3.3889	4.1867	3.7111	4.1237	4.8730	4.3941	2.7860	2.5166	3.1490	1.0851		1.7654	1.7524	2.1710	2.4658
H12	2.6862	3.5526	3.0205	4.1205	4.7052	4.7268	2.7650	3.0246	2.5607	1.0835	1.7654		1.7528	2.1541	3.0418
H13	2.7006	3.6682	2.5543	4.6171	5.4391	4.9399	3.4685	3.7089	3.7419	1.0850	1.7524	1.7528		2.1647	2.4949
C14	1.4524	2.0656	2.0907	2.4619	3.3210	2.8406	1.5286	2.1488	2.1286	1.5270	2.1710	2.1541	2.1647		1.0952
H15	2.1211	2.5380	2.5014	2.6798	3.6586	2.6570	2.1295	2.4760	3.0164	2.1385	2.4658	3.0418	2.4949	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	108.209	N1	C14	C10	109.920
N1	C14	H15	111.970	H2	N1	H3	113.677
H2	N1	C14	113.722	H3	N1	C14	116.027
N4	C7	H8	112.591	N4	C7	H9	108.158
N4	C7	C14	111.104	H5	N4	H6	112.955
H5	N4	C7	116.461	H6	N4	C7	116.097
C7	C14	C10	111.232	C7	C14	H15	107.354
H8	C7	H9	107.683	H8	C7	C14	109.142
H9	C7	C14	107.999	C10	C14	H15	108.154
H11	C10	H12	108.996	H11	C10	H13	107.706
H11	C10	C14	111.308	H12	C10	H13	107.864
H12	C10	C14	110.055	H13	C10	C14	110.810

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

using model chemistry: HF/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	CHELPG
1	N	-0.857	-1.193
2	H	0.349	0.407
3	H	0.311	0.438
4	N	-0.880	-1.169
5	H	0.329	0.425
6	H	0.322	0.402
7	C	-0.074	0.509
8	H	0.133	-0.099
9	H	0.175	-0.015
10	C	-0.439	-0.479
11	H	0.141	0.077
12	H	0.165	0.111
13	H	0.146	0.141
14	C	0.055	0.478
15	H	0.124	-0.034

	x	y	z	Total
	-0.891	-0.877	1.176	1.717
CHELPG	-0.870	-0.819	1.175	1.676
AIM
ESP

	x	y	z
x	7.066	-0.115	0.106
y	-0.115	6.189	-0.116
z	0.106	-0.116	5.744

<r²>	142.963
(<r²>)^1/2	11.957

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

using model chemistry: HF/6-31G

States and conformations

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