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	hartrees
Energy at 0K	-228.374628
Energy at 298.15K	-228.387486
Nuclear repulsion energy	195.882796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3463	0.86
2	A	3800	3453	0.31
3	A	3729	3388	0.04
4	A	3724	3383	0.25
5	A	3233	2937	72.47
6	A	3215	2921	56.32
7	A	3215	2920	21.88
8	A	3173	2883	54.65
9	A	3158	2869	24.12
10	A	3062	2782	91.56
11	A	1802	1637	13.72
12	A	1793	1629	59.05
13	A	1619	1471	2.08
14	A	1611	1464	5.67
15	A	1605	1458	0.17
16	A	1557	1414	0.38
17	A	1534	1394	15.58
18	A	1516	1377	9.13
19	A	1494	1358	5.36
20	A	1460	1326	11.79
21	A	1364	1239	0.65
22	A	1305	1186	6.73
23	A	1260	1144	9.77
24	A	1184	1075	21.94
25	A	1131	1027	14.24
26	A	1092	992	2.68
27	A	1022	929	5.89
28	A	976	886	76.96
29	A	948	861	127.35
30	A	920	836	89.24
31	A	849	771	72.88
32	A	524	476	0.25
33	A	502	456	18.79
34	A	396	359	0.76
35	A	366	333	52.29
36	A	279	254	10.37
37	A	263	239	24.35
38	A	239	217	27.13
39	A	129	118	4.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.499	1.383	-0.215
H2	-0.258	1.931	0.140
H3	1.341	1.852	0.054
N4	-2.048	-0.126	0.035
H5	-2.157	0.738	-0.453
H6	-2.195	0.042	1.010
C7	-0.747	-0.720	-0.221
H8	-0.751	-1.726	0.191
H9	-0.632	-0.815	-1.296
C10	1.759	-0.688	-0.025
H11	1.755	-1.707	0.350
H12	1.888	-0.716	-1.103
H13	2.620	-0.182	0.403
C14	0.465	0.032	0.335
H15	0.376	0.044	1.428

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		0.9997	1.0004	2.9718	2.7440	3.2489	2.4452	3.3759	2.6983	2.4322	3.3839	2.6697	2.7075	1.4595	2.1226
H2	0.9997		1.6034	2.7297	2.3199	2.8421	2.7205	3.6911	3.1214	3.3106	4.1642	3.6279	3.5805	2.0418	2.3713
H3	1.0004	1.6034		3.9248	3.7062	4.0857	3.3249	4.1474	3.5816	2.5762	3.5962	2.8697	2.4284	2.0400	2.4674
N4	2.9718	2.7297	3.9248		0.9990	1.0005	1.4530	2.0660	2.0621	3.8492	4.1314	4.1402	4.6834	2.5359	2.8015
H5	2.7440	2.3199	3.7062	0.9990		1.6210	2.0422	2.9102	2.3347	4.1901	4.6838	4.3481	4.9401	2.8277	3.2310
H6	3.2489	2.8421	4.0857	1.0005	1.6210		2.0473	2.4256	2.9148	4.1518	4.3704	4.6596	4.8580	2.7436	2.6047
C7	2.4452	2.7205	3.3249	1.4530	2.0422	2.0473		1.0870	1.0857	2.5140	2.7502	2.7794	3.4667	1.5310	2.1363
H8	3.3759	3.6911	4.1474	2.0660	2.9102	2.4256	1.0870		1.7483	2.7244	2.5112	3.1080	3.7138	2.1423	2.4359
H9	2.6983	3.1214	3.5816	2.0621	2.3347	2.9148	1.0857	1.7483		2.7105	3.0340	2.5295	3.7234	2.1404	3.0287
C10	2.4322	3.3106	2.5762	3.8492	4.1901	4.1518	2.5140	2.7244	2.7105		1.0860	1.0859	1.0871	1.5246	2.1352
H11	3.3839	4.1642	3.5962	4.1314	4.6838	4.3704	2.7502	2.5112	3.0340	1.0860		1.7640	1.7544	2.1661	2.4761
H12	2.6697	3.6279	2.8697	4.1402	4.3481	4.6596	2.7794	3.1080	2.5295	1.0859	1.7640		1.7579	2.1578	3.0444
H13	2.7075	3.5805	2.4284	4.6834	4.9401	4.8580	3.4667	3.7138	3.7234	1.0871	1.7544	1.7579		2.1671	2.4768
C14	1.4595	2.0418	2.0400	2.5359	2.8277	2.7436	1.5310	2.1423	2.1404	1.5246	2.1661	2.1578	2.1671		1.0958
H15	2.1226	2.3713	2.4674	2.8015	3.2310	2.6047	2.1363	2.4359	3.0287	2.1352	2.4761	3.0444	2.4768	1.0958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.681	N1	C14	C10	109.163
N1	C14	H15	111.548	H2	N1	H3	106.579
H2	N1	C14	110.863	H3	N1	C14	110.671
N4	C7	H8	107.991	N4	C7	H9	107.758
N4	C7	C14	116.366	H5	N4	H6	108.326
H5	N4	C7	111.444	H6	N4	C7	111.791
C7	C14	C10	110.726	C7	C14	H15	107.685
H8	C7	H9	107.157	H8	C7	C14	108.642
H9	C7	C14	108.569	C10	C14	H15	108.026
H11	C10	H12	108.627	H11	C10	H13	107.672
H11	C10	C14	111.029	H12	C10	H13	107.992
H12	C10	C14	110.367	H13	C10	C14	111.043

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

using model chemistry: HF/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	-0.490
2	H	0.172
3	H	0.187
4	N	-0.518
5	H	0.188
6	H	0.177
7	C	0.043
8	H	0.089
9	H	0.097
10	C	-0.223
11	H	0.089
12	H	0.100
13	H	0.084
14	C	-0.059
15	H	0.064

	x	y	z	Total
	0.988	1.072	1.728	2.260
CHELPG
AIM
ESP

	x	y	z
x	7.648	-0.229	-0.095
y	-0.229	7.094	-0.038
z	-0.095	-0.038	6.370

<r²>	143.370
(<r²>)^1/2	11.974

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

using model chemistry: HF/6-311G**

States and conformations

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