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	hartrees
Energy at 0K	-229.831021
Energy at 298.15K	-229.843585
HF Energy	-229.831021
Nuclear repulsion energy	195.445064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3624	3467	0.26
2	A	3613	3456	0.30
3	A	3537	3383	0.93
4	A	3534	3380	0.56
5	A	3130	2994	33.35
6	A	3118	2982	35.47
7	A	3095	2960	30.58
8	A	3048	2915	51.53
9	A	3043	2911	14.64
10	A	2932	2805	83.69
11	A	1669	1597	6.82
12	A	1659	1587	64.51
13	A	1508	1443	4.64
14	A	1493	1429	7.02
15	A	1486	1421	0.77
16	A	1431	1369	0.75
17	A	1415	1353	17.88
18	A	1400	1339	2.49
19	A	1382	1321	10.78
20	A	1348	1289	5.85
21	A	1274	1219	1.14
22	A	1215	1162	3.93
23	A	1186	1134	5.34
24	A	1135	1085	15.10
25	A	1062	1015	10.86
26	A	1032	987	1.05
27	A	964	922	7.67
28	A	909	869	50.06
29	A	891	852	100.25
30	A	848	811	96.47
31	A	800	765	104.10
32	A	501	480	2.15
33	A	477	457	20.64
34	A	375	358	1.20
35	A	367	351	52.55
36	A	266	254	5.39
37	A	240	229	43.51
38	A	217	207	14.15
39	A	123	118	5.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.483	1.387	-0.220
H2	-0.285	1.924	0.166
H3	1.328	1.870	0.067
N4	-2.052	-0.131	0.025
H5	-2.133	0.742	-0.484
H6	-2.184	0.075	1.009
C7	-0.743	-0.733	-0.206
H8	-0.750	-1.738	0.231
H9	-0.616	-0.851	-1.287
C10	1.765	-0.679	-0.033
H11	1.766	-1.709	0.332
H12	1.883	-0.691	-1.120
H13	2.634	-0.172	0.398
C14	0.470	0.031	0.340
H15	0.387	0.043	1.442

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0144	1.0143	2.9653	2.7072	3.2167	2.4488	3.3894	2.7117	2.4379	3.3964	2.6618	2.7263	1.4665	2.1396
H2	1.0144		1.6171	2.7140	2.2873	2.7812	2.7218	3.6921	3.1497	3.3195	4.1762	3.6324	3.6010	2.0454	2.3709
H3	1.0143	1.6171		3.9281	3.6810	4.0548	3.3371	4.1666	3.6074	2.5877	3.6156	2.8764	2.4458	2.0469	2.4723
N4	2.9653	2.7140	3.9281		1.0133	1.0146	1.4596	2.0785	2.0741	3.8567	4.1434	4.1368	4.7008	2.5471	2.8270
H5	2.7072	2.2873	3.6810	1.0133		1.6359	2.0455	2.9276	2.3415	4.1727	4.6771	4.3111	4.9323	2.8208	3.2478
H6	3.2167	2.7812	4.0548	1.0146	1.6359		2.0513	2.4395	2.9309	4.1533	4.3876	4.6547	4.8627	2.7375	2.6080
C7	2.4488	2.7218	3.3371	1.4596	2.0455	2.0513		1.0956	1.0947	2.5141	2.7456	2.7810	3.4754	1.5341	2.1439
H8	3.3894	3.6921	4.1666	2.0785	2.9276	2.4395	1.0956		1.7627	2.7416	2.5187	3.1394	3.7323	2.1521	2.4362
H9	2.7117	3.1497	3.6074	2.0741	2.3415	2.9309	1.0947	1.7627		2.6962	3.0053	2.5099	3.7224	2.1459	3.0421
C10	2.4379	3.3195	2.5877	3.8567	4.1727	4.1533	2.5141	2.7416	2.6962		1.0932	1.0935	1.0941	1.5234	2.1436
H11	3.3964	4.1762	3.6156	4.1434	4.6771	4.3876	2.7456	2.5187	3.0053	1.0932		1.7774	1.7665	2.1706	2.4911
H12	2.6618	3.6324	2.8764	4.1368	4.3111	4.6547	2.7810	3.1394	2.5099	1.0935	1.7774		1.7705	2.1567	3.0564
H13	2.7263	3.6010	2.4458	4.7008	4.9323	4.8627	3.4754	3.7323	3.7224	1.0941	1.7665	1.7705		2.1739	2.4866
C14	1.4665	2.0454	2.0469	2.5471	2.8208	2.7375	1.5341	2.1521	2.1459	1.5234	2.1706	2.1567	2.1739		1.1053
H15	2.1396	2.3709	2.4723	2.8270	3.2478	2.6080	2.1439	2.4362	3.0421	2.1436	2.4911	3.0564	2.4866	1.1053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.377	N1	C14	C10	109.236
N1	C14	H15	111.839	H2	N1	H3	105.712
H2	N1	C14	109.721	H3	N1	C14	109.851
N4	C7	H8	108.019	N4	C7	H9	107.725
N4	C7	C14	116.580	H5	N4	H6	107.543
H5	N4	C7	110.310	H6	N4	C7	110.721
C7	C14	C10	110.633	C7	C14	H15	107.528
H8	C7	H9	107.170	H8	C7	C14	108.704
H9	C7	C14	108.272	C10	C14	H15	108.219
H11	C10	H12	108.747	H11	C10	H13	107.728
H11	C10	C14	111.037	H12	C10	H13	108.061
H12	C10	C14	109.922	H13	C10	C14	111.248

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

using model chemistry: wB97X-D/6-311G**

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	-0.460
2	H	0.177
3	H	0.199
4	N	-0.480
5	H	0.199
6	H	0.188
7	C	-0.075
8	H	0.117
9	H	0.123
10	C	-0.309
11	H	0.115
12	H	0.125
13	H	0.111
14	C	-0.124
15	H	0.094

	x	y	z	Total
	0.955	1.115	1.677	2.229
CHELPG
AIM
ESP

	x	y	z
x	8.242	-0.226	-0.085
y	-0.226	7.607	-0.011
z	-0.085	-0.011	6.783

<r²>	143.206
(<r²>)^1/2	11.967

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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