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	hartrees
Energy at 0K	-41.533357
Energy at 298.15K	-41.545506
Nuclear repulsion energy	113.173747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3983	3590	8.19
2	A	3908	3522	1.34
3	A	3838	3459	2.42
4	A	3784	3411	0.08
5	A	3300	2975	155.52
6	A	3290	2966	1.03
7	A	3274	2951	100.55
8	A	3228	2910	86.91
9	A	3200	2884	46.10
10	A	3127	2819	138.69
11	A	1826	1646	59.55
12	A	1809	1630	42.03
13	A	1638	1476	4.48
14	A	1629	1469	6.72
15	A	1619	1460	0.92
16	A	1558	1404	6.80
17	A	1549	1396	5.93
18	A	1520	1370	26.59
19	A	1478	1332	6.94
20	A	1462	1318	4.43
21	A	1353	1219	1.50
22	A	1294	1166	5.76
23	A	1268	1143	10.96
24	A	1199	1081	55.38
25	A	1110	1001	10.83
26	A	1093	985	2.86
27	A	1031	930	0.49
28	A	941	848	8.27
29	A	894	806	18.44
30	A	751	677	255.33
31	A	536	483	23.89
32	A	496	447	29.03
33	A	390	351	7.00
34	A	341	307	57.68
35	A	273	246	6.08
36	A	252	227	168.96
37	A	241	218	4.67
38	A	164	148	301.63
39	A	132	119	48.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.497	1.401	-0.181
H2	-0.314	1.951	0.028
H3	1.349	1.908	-0.027
N4	-2.046	-0.138	0.045
H5	-2.382	0.594	-0.544
H6	-2.387	-0.139	0.984
C7	-0.738	-0.730	-0.240
H8	-0.731	-1.754	0.133
H9	-0.618	-0.773	-1.320
C10	1.788	-0.683	-0.027
H11	1.800	-1.708	0.347
H12	1.902	-0.705	-1.110
H13	2.652	-0.166	0.394
C14	0.474	0.026	0.353
H15	0.377	0.021	1.447

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0024	1.0029	2.9810	3.0126	3.4703	2.4630	3.4005	2.6958	2.4559	3.4114	2.6969	2.7255	1.4749	2.1373
H2	1.0024		1.6642	2.7137	2.5395	3.0947	2.7273	3.7307	3.0548	3.3705	4.2377	3.6420	3.6625	2.1057	2.4935
H3	1.0029	1.6642		3.9641	3.9895	4.3777	3.3696	4.2149	3.5675	2.6278	3.6627	2.8826	2.4853	2.1096	2.5841
N4	2.9810	2.7137	3.9641		0.9974	0.9984	1.4641	2.0858	2.0755	3.8733	4.1652	4.1525	4.7114	2.5446	2.8043
H5	3.0126	2.5395	3.9895	0.9974		1.6939	2.1326	2.9493	2.3628	4.3919	4.8561	4.5124	5.1773	3.0477	3.4509
H6	3.4703	3.0947	4.3777	0.9984	1.6939		2.1368	2.4648	2.9732	4.3297	4.5163	4.8061	5.0736	2.9346	2.8073
C7	2.4630	2.7273	3.3696	1.4641	2.1326	2.1368		1.0908	1.0880	2.5350	2.7823	2.7793	3.4945	1.5465	2.1570
H8	3.4005	3.7307	4.2149	2.0858	2.9493	2.4648	1.0908		1.7578	2.7424	2.5408	3.0952	3.7471	2.1616	2.4714
H9	2.6958	3.0548	3.5675	2.0755	2.3628	2.9732	1.0880	1.7578		2.7331	3.0825	2.5293	3.7420	2.1523	3.0464
C10	2.4559	3.3705	2.6278	3.8733	4.3919	4.3297	2.5350	2.7424	2.7331		1.0909	1.0897	1.0916	1.5402	2.1583
H11	3.4114	4.2377	3.6627	4.1652	4.8561	4.5163	2.7823	2.5408	3.0825	1.0909		1.7718	1.7623	2.1823	2.4944
H12	2.6969	3.6420	2.8826	4.1525	4.5124	4.8061	2.7793	3.0952	2.5293	1.0897	1.7718		1.7658	2.1712	3.0648
H13	2.7255	3.6625	2.4853	4.7114	5.1773	5.0736	3.4945	3.7471	3.7420	1.0916	1.7623	1.7658		2.1866	2.5139
C14	1.4749	2.1057	2.1096	2.5446	3.0477	2.9346	1.5465	2.1616	2.1523	1.5402	2.1823	2.1712	2.1866		1.0984
H15	2.1373	2.4935	2.5841	2.8043	3.4509	2.8073	2.1570	2.4714	3.0464	2.1583	2.4944	3.0648	2.5139	1.0984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.190	N1	C14	C10	109.062
N1	C14	H15	111.474	H2	N1	H3	112.176
H2	N1	C14	115.095	H3	N1	C14	115.410
N4	C7	H8	108.569	N4	C7	H9	107.925
N4	C7	C14	115.359	H5	N4	H6	116.155
H5	N4	C7	118.859	H6	N4	C7	119.187
C7	C14	C10	110.423	C7	C14	H15	108.082
H8	C7	H9	107.562	H8	C7	C14	108.861
H9	C7	C14	108.304	C10	C14	H15	108.607
H11	C10	H12	108.685	H11	C10	H13	107.702
H11	C10	C14	110.927	H12	C10	H13	108.092
H12	C10	C14	110.111	H13	C10	C14	111.223

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

using model chemistry: HF/CEP-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	-0.704
2	H	0.270
3	H	0.275
4	N	-0.688
5	H	0.296
6	H	0.287
7	C	-0.110
8	H	0.095
9	H	0.105
10	C	-0.372
11	H	0.101
12	H	0.113
13	H	0.111
14	C	0.152
15	H	0.072

	x	y	z	Total
	0.511	0.899	1.642	1.941
CHELPG
AIM
ESP

	x	y	z
x	7.063	-0.303	-0.128
y	-0.303	6.237	-0.267
z	-0.128	-0.267	5.548

<r²>	123.217
(<r²>)^1/2	11.100

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

using model chemistry: HF/CEP-31G

States and conformations

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