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	hartrees
Energy at 0K	-229.638531
Energy at 298.15K	-229.650619
Nuclear repulsion energy	192.433944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3563	3536	0.11
2	A	3501	3474	1.16
3	A	3439	3413	1.13
4	A	3390	3364	8.95
5	A	3048	3025	44.39
6	A	3027	3004	41.89
7	A	3016	2993	30.37
8	A	2963	2941	45.59
9	A	2954	2931	40.06
10	A	2782	2761	127.19
11	A	1652	1639	12.68
12	A	1649	1636	48.09
13	A	1509	1498	3.20
14	A	1496	1485	4.42
15	A	1476	1464	0.70
16	A	1411	1401	7.27
17	A	1383	1372	5.27
18	A	1372	1362	12.45
19	A	1349	1339	10.18
20	A	1335	1325	14.07
21	A	1237	1228	1.28
22	A	1175	1167	1.58
23	A	1142	1133	2.11
24	A	1069	1061	29.22
25	A	1029	1021	5.70
26	A	991	983	2.06
27	A	918	911	2.44
28	A	865	859	2.06
29	A	809	803	19.30
30	A	644	639	163.54
31	A	516	512	167.95
32	A	471	468	40.96
33	A	453	449	98.15
34	A	365	362	51.88
35	A	352	349	48.39
36	A	253	251	13.01
37	A	223	221	15.84
38	A	206	205	87.82
39	A	122	121	4.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.486	1.407	-0.187
H2	-0.366	1.924	0.051
H3	1.323	1.948	0.048
N4	-2.065	-0.128	0.036
H5	-2.292	0.691	-0.527
H6	-2.337	-0.037	1.016
C7	-0.748	-0.736	-0.220
H8	-0.747	-1.761	0.196
H9	-0.623	-0.818	-1.314
C10	1.805	-0.679	-0.042
H11	1.817	-1.719	0.327
H12	1.916	-0.688	-1.139
H13	2.682	-0.161	0.387
C14	0.489	0.027	0.352
H15	0.402	0.001	1.469

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0249	1.0243	2.9858	2.8892	3.3919	2.4733	3.4211	2.7291	2.4721	3.4361	2.7091	2.7587	1.4815	2.1747
H2	1.0249		1.6892	2.6642	2.3592	2.9430	2.7010	3.7077	3.0733	3.3907	4.2558	3.6670	3.7082	2.1021	2.5098
H3	1.0243	1.6892		3.9738	3.8708	4.2750	3.4012	4.2505	3.6461	2.6726	3.7110	2.9517	2.5320	2.1164	2.5810
N4	2.9858	2.6642	3.9738		1.0198	1.0210	1.4729	2.1050	2.0920	3.9101	4.2052	4.1886	4.7603	2.5780	2.8556
H5	2.8892	2.3592	3.8708	1.0198		1.7068	2.1249	2.9874	2.3832	4.3476	4.8396	4.4706	5.1290	2.9914	3.4234
H6	3.3919	2.9430	4.2750	1.0210	1.7068		2.1314	2.4856	2.9960	4.3236	4.5345	4.8127	5.0604	2.9039	2.7765
C7	2.4733	2.7010	3.4012	1.4729	2.1249	2.1314		1.1062	1.1038	2.5603	2.8008	2.8188	3.5308	1.5621	2.1722
H8	3.4211	3.7077	4.2505	2.1050	2.9874	2.4856	1.1062		1.7843	2.7822	2.5671	3.1661	3.7888	2.1794	2.4587
H9	2.7291	3.0733	3.6461	2.0920	2.3832	2.9960	1.1038	1.7843		2.7451	3.0757	2.5487	3.7749	2.1740	3.0765
C10	2.4721	3.3907	2.6726	3.9101	4.3476	4.3236	2.5603	2.7822	2.7451		1.1038	1.1032	1.1049	1.5448	2.1713
H11	3.4361	4.2558	3.7110	4.2052	4.8396	4.5345	2.8008	2.5671	3.0757	1.1038		1.7955	1.7834	2.1939	2.5028
H12	2.7091	3.6670	2.9517	4.1886	4.4706	4.8127	2.8188	3.1661	2.5487	1.1032	1.7955		1.7871	2.1847	3.0939
H13	2.7587	3.7082	2.5320	4.7603	5.1290	5.0604	3.5308	3.7888	3.7749	1.1049	1.7834	1.7871		2.2017	2.5295
C14	1.4815	2.1021	2.1164	2.5780	2.9914	2.9039	1.5621	2.1794	2.1740	1.5448	2.1939	2.1847	2.2017		1.1207
H15	2.1747	2.5098	2.5810	2.8556	3.4234	2.7765	2.1722	2.4587	3.0765	2.1713	2.5028	3.0939	2.5295	1.1207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	108.674	N1	C14	C10	109.527
N1	C14	H15	112.642	H2	N1	H3	111.038
H2	N1	C14	112.738	H3	N1	C14	114.017
N4	C7	H8	108.566	N4	C7	H9	107.696
N4	C7	C14	116.266	H5	N4	H6	113.507
H5	N4	C7	115.759	H6	N4	C7	116.261
C7	C14	C10	110.985	C7	C14	H15	106.971
H8	C7	H9	107.676	H8	C7	C14	108.310
H9	C7	C14	108.030	C10	C14	H15	108.036
H11	C10	H12	108.886	H11	C10	H13	107.687
H11	C10	C14	110.749	H12	C10	H13	108.064
H12	C10	C14	110.064	H13	C10	C14	111.299

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	-0.644
2	H	0.239
3	H	0.254
4	N	-0.653
5	H	0.267
6	H	0.258
7	C	-0.071
8	H	0.109
9	H	0.126
10	C	-0.362
11	H	0.114
12	H	0.133
13	H	0.108
14	C	0.053
15	H	0.069

	x	y	z	Total
	0.465	1.204	1.584	2.044
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>	147.595
(<r²>)^1/2	12.149

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)