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	hartrees
Energy at 0K	-228.398059
Energy at 298.15K	-228.410882
Nuclear repulsion energy	196.043863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3824	3475	3.74
2	A	3814	3465	2.27
3	A	3741	3399	0.40
4	A	3736	3395	1.14
5	A	3224	2929	64.11
6	A	3208	2914	50.24
7	A	3205	2912	18.32
8	A	3166	2876	52.55
9	A	3152	2864	20.59
10	A	3058	2778	77.44
11	A	1794	1630	18.97
12	A	1786	1623	54.07
13	A	1619	1471	2.10
14	A	1612	1465	6.27
15	A	1606	1459	0.15
16	A	1552	1410	0.44
17	A	1535	1395	12.44
18	A	1514	1375	12.33
19	A	1489	1353	5.20
20	A	1460	1326	9.87
21	A	1358	1234	1.08
22	A	1300	1181	4.83
23	A	1258	1143	8.85
24	A	1179	1071	26.94
25	A	1125	1022	10.19
26	A	1087	988	2.84
27	A	1019	925	2.69
28	A	961	873	33.40
29	A	932	846	115.39
30	A	902	819	99.03
31	A	835	759	94.46
32	A	524	476	0.41
33	A	501	455	17.56
34	A	396	360	0.99
35	A	349	317	47.52
36	A	281	255	13.04
37	A	260	237	17.93
38	A	235	214	22.79
39	A	134	122	3.42

Atom	x (Å)	y (Å)	z (Å)
N1	0.514	1.384	-0.211
H2	-0.238	1.945	0.129
H3	1.362	1.845	0.045
N4	-2.048	-0.123	0.040
H5	-2.173	0.745	-0.434
H6	-2.207	0.018	1.015
C7	-0.750	-0.711	-0.230
H8	-0.749	-1.719	0.170
H9	-0.639	-0.792	-1.305
C10	1.750	-0.699	-0.021
H11	1.738	-1.711	0.367
H12	1.882	-0.743	-1.096
H13	2.613	-0.196	0.402
C14	0.463	0.033	0.331
H15	0.368	0.044	1.421

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		0.9976	0.9983	2.9826	2.7713	3.2816	2.4463	3.3719	2.6949	2.4300	3.3784	2.6793	2.6978	1.4566	2.1159
H2	0.9976		1.6052	2.7493	2.3455	2.8936	2.7279	3.6997	3.1156	3.3118	4.1631	3.6356	3.5759	2.0464	2.3765
H3	0.9983	1.6052		3.9366	3.7332	4.1244	3.3262	4.1440	3.5748	2.5744	3.5905	2.8755	2.4200	2.0427	2.4742
N4	2.9826	2.7493	3.9366		0.9970	0.9982	1.4501	2.0618	2.0592	3.8422	4.1188	4.1369	4.6758	2.5322	2.7874
H5	2.7713	2.3455	3.7332	0.9970		1.6215	2.0463	2.9097	2.3400	4.2017	4.6881	4.3700	4.9496	2.8360	3.2231
H6	3.2816	2.8936	4.1244	0.9982	1.6215		2.0503	2.4202	2.9149	4.1528	4.3559	4.6636	4.8636	2.7555	2.6061
C7	2.4463	2.7279	3.3262	1.4501	2.0463	2.0503		1.0849	1.0839	2.5090	2.7475	2.7704	3.4606	1.5292	2.1317
H8	3.3719	3.6997	4.1440	2.0618	2.9097	2.4202	1.0849		1.7456	2.7064	2.4953	3.0781	3.6990	2.1366	2.4338
H9	2.6949	3.1156	3.5748	2.0592	2.3400	2.9149	1.0839	1.7456		2.7147	3.0486	2.5301	3.7216	2.1386	3.0240
C10	2.4300	3.3118	2.5744	3.8422	4.2017	4.1528	2.5090	2.7064	2.7147		1.0838	1.0840	1.0850	1.5227	2.1315
H11	3.3784	4.1631	3.5905	4.1188	4.6881	4.3559	2.7475	2.4953	3.0486	1.0838		1.7600	1.7507	2.1613	2.4643
H12	2.6793	3.6356	2.8755	4.1369	4.3700	4.6636	2.7704	3.0781	2.5301	1.0840	1.7600		1.7546	2.1570	3.0407
H13	2.6978	3.5759	2.4200	4.6758	4.9496	4.8636	3.4606	3.6990	3.7216	1.0850	1.7507	1.7546		2.1640	2.4778
C14	1.4566	2.0464	2.0427	2.5322	2.8360	2.7555	1.5292	2.1366	2.1386	1.5227	2.1613	2.1570	2.1640		1.0935
H15	2.1159	2.3765	2.4742	2.7874	3.2231	2.6061	2.1317	2.4338	3.0240	2.1315	2.4643	3.0407	2.4778	1.0935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	110.010	N1	C14	C10	109.285
N1	C14	H15	111.346	H2	N1	H3	107.078
H2	N1	C14	111.617	H3	N1	C14	111.264
N4	C7	H8	107.982	N4	C7	H9	107.834
N4	C7	C14	116.387	H5	N4	H6	108.726
H5	N4	C7	112.168	H6	N4	C7	112.426
C7	C14	C10	110.600	C7	C14	H15	107.576
H8	C7	H9	107.189	H8	C7	C14	108.439
H9	C7	C14	108.655	C10	C14	H15	107.998
H11	C10	H12	108.558	H11	C10	H13	107.655
H11	C10	C14	110.911	H12	C10	H13	107.988
H12	C10	C14	110.558	H13	C10	C14	111.057

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.955
2	H	0.177
3	H	0.175
4	N	-0.987
5	H	0.192
6	H	0.185
7	C	0.285
8	H	0.119
9	H	0.131
10	C	-0.283
11	H	0.129
12	H	0.144
13	H	0.115
14	C	0.485
15	H	0.088

	x	y	z	Total
	1.004	0.925	1.685	2.169
CHELPG
AIM
ESP

	x	y	z
x	8.618	-0.136	-0.051
y	-0.136	7.872	-0.016
z	-0.051	-0.016	7.160

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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