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	hartrees
Energy at 0K	-229.718755
Energy at 298.15K	-229.731237
Nuclear repulsion energy	195.872947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3620	3456	0.05
2	A	3608	3445	0.31
3	A	3523	3363	2.05
4	A	3519	3360	0.94
5	A	3152	3009	25.22
6	A	3137	2995	29.95
7	A	3109	2968	29.31
8	A	3059	2921	34.09
9	A	3054	2916	27.95
10	A	2929	2797	84.39
11	A	1667	1592	3.84
12	A	1653	1579	59.18
13	A	1508	1440	2.36
14	A	1496	1428	5.08
15	A	1480	1413	0.51
16	A	1426	1361	2.21
17	A	1410	1346	16.17
18	A	1397	1334	3.83
19	A	1378	1316	8.79
20	A	1341	1280	10.80
21	A	1265	1208	1.15
22	A	1209	1154	3.91
23	A	1181	1128	6.16
24	A	1132	1081	12.71
25	A	1049	1002	10.78
26	A	1030	983	1.20
27	A	962	919	8.75
28	A	906	865	81.66
29	A	880	840	73.78
30	A	841	803	88.13
31	A	792	757	104.65
32	A	492	470	2.76
33	A	464	443	22.22
34	A	373	356	59.84
35	A	360	344	0.82
36	A	262	250	12.32
37	A	240	229	34.97
38	A	225	215	18.59
39	A	116	111	8.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.455	1.379	-0.219
H2	-0.329	1.895	0.167
H3	1.288	1.884	0.069
N4	-2.039	-0.138	0.017
H5	-2.101	0.734	-0.497
H6	-2.180	0.076	0.999
C7	-0.734	-0.741	-0.195
H8	-0.737	-1.743	0.250
H9	-0.598	-0.870	-1.274
C10	1.769	-0.658	-0.040
H11	1.785	-1.690	0.321
H12	1.878	-0.666	-1.127
H13	2.637	-0.144	0.384
C14	0.472	0.033	0.346
H15	0.397	0.035	1.450

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0150	1.0149	2.9288	2.6513	3.1824	2.4314	3.3746	2.6990	2.4307	3.3877	2.6521	2.7284	1.4603	2.1440
H2	1.0150		1.6197	2.6604	2.2198	2.7251	2.6917	3.6614	3.1298	3.3110	4.1645	3.6204	3.6062	2.0351	2.3735
H3	1.0149	1.6197		3.8928	3.6229	4.0196	3.3237	4.1572	3.5982	2.5894	3.6167	2.8781	2.4564	2.0416	2.4738
N4	2.9288	2.6604	3.8928		1.0141	1.0152	1.4534	2.0796	2.0681	3.8433	4.1377	4.1147	4.6901	2.5379	2.8312
H5	2.6513	2.2198	3.6229	1.0141		1.6358	2.0345	2.9249	2.3318	4.1383	4.6525	4.2656	4.8988	2.7970	3.2433
H6	3.1824	2.7251	4.0196	1.0152	1.6358		2.0464	2.4402	2.9267	4.1490	4.3935	4.6416	4.8616	2.7318	2.6165
C7	2.4314	2.6917	3.3237	1.4534	2.0345	2.0464		1.0958	1.0950	2.5087	2.7401	2.7742	3.4716	1.5316	2.1419
H8	3.3746	3.6614	4.1572	2.0796	2.9249	2.4402	1.0958		1.7616	2.7456	2.5233	3.1454	3.7356	2.1500	2.4261
H9	2.6990	3.1298	3.5982	2.0681	2.3318	2.9267	1.0950	1.7616		2.6783	2.9825	2.4895	3.7072	2.1417	3.0385
C10	2.4307	3.3110	2.5894	3.8433	4.1383	4.1490	2.5087	2.7456	2.6783		1.0927	1.0931	1.0939	1.5193	2.1409
H11	3.3877	4.1645	3.6167	4.1377	4.6525	4.3935	2.7401	2.5233	2.9825	1.0927		1.7754	1.7656	2.1660	2.4857
H12	2.6521	3.6204	2.8781	4.1147	4.2656	4.6416	2.7742	3.1454	2.4895	1.0931	1.7754		1.7693	2.1535	3.0547
H13	2.7284	3.6062	2.4564	4.6901	4.8988	4.8616	3.4716	3.7356	3.7072	1.0939	1.7656	1.7693		2.1727	2.4880
C14	1.4603	2.0351	2.0416	2.5379	2.7970	2.7318	1.5316	2.1500	2.1417	1.5193	2.1660	2.1535	2.1727		1.1068
H15	2.1440	2.3735	2.4738	2.8312	3.2433	2.6165	2.1419	2.4261	3.0385	2.1409	2.4857	3.0547	2.4880	1.1068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	108.691	N1	C14	C10	109.312
N1	C14	H15	112.546	H2	N1	H3	105.864
H2	N1	C14	109.280	H3	N1	C14	109.836
N4	C7	H8	108.519	N4	C7	H9	107.657
N4	C7	C14	116.445	H5	N4	H6	107.431
H5	N4	C7	109.797	H6	N4	C7	110.737
C7	C14	C10	110.626	C7	C14	H15	107.460
H8	C7	H9	107.043	H8	C7	C14	108.702
H9	C7	C14	108.097	C10	C14	H15	108.200
H11	C10	H12	108.627	H11	C10	H13	107.702
H11	C10	C14	110.990	H12	C10	H13	107.994
H12	C10	C14	109.966	H13	C10	C14	111.455

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

using model chemistry: B1B95/6-31G**

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	-0.609
2	H	0.232
3	H	0.248
4	N	-0.621
5	H	0.252
6	H	0.241
7	C	-0.069
8	H	0.113
9	H	0.127
10	C	-0.356
11	H	0.120
12	H	0.134
13	H	0.112
14	C	-0.006
15	H	0.082

	x	y	z	Total
	0.988	1.164	1.684	2.273
CHELPG
AIM
ESP

	x	y	z
x	7.735	-0.236	-0.120
y	-0.236	7.165	-0.076
z	-0.120	-0.076	6.247

<r²>	142.188
(<r²>)^1/2	11.924

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

using model chemistry: B1B95/6-31G**

States and conformations

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