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	hartrees
Energy at 0K	-41.545907
Energy at 298.15K	-41.558431
Nuclear repulsion energy	113.394036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3898	3557	2.23
2	A	3852	3515	0.22
3	A	3760	3431	0.81
4	A	3731	3404	0.71
5	A	3245	2961	111.25
6	A	3233	2950	1.05
7	A	3220	2938	71.14
8	A	3169	2892	66.92
9	A	3139	2864	34.23
10	A	3064	2796	111.78
11	A	1835	1675	57.14
12	A	1826	1666	42.06
13	A	1639	1496	3.83
14	A	1632	1489	6.42
15	A	1622	1480	0.63
16	A	1550	1415	9.73
17	A	1543	1408	2.78
18	A	1518	1385	26.14
19	A	1481	1351	5.71
20	A	1464	1336	7.43
21	A	1354	1236	1.58
22	A	1300	1186	3.96
23	A	1265	1154	8.90
24	A	1191	1087	45.91
25	A	1117	1019	10.16
26	A	1091	996	2.86
27	A	1027	937	0.14
28	A	948	865	4.21
29	A	890	812	23.16
30	A	767	700	225.00
31	A	572	522	229.51
32	A	507	462	50.95
33	A	482	440	91.26
34	A	390	356	0.52
35	A	328	299	82.25
36	A	271	248	9.05
37	A	241	220	4.45
38	A	200	182	69.17
39	A	129	118	6.31

Atom	x (Å)	y (Å)	z (Å)
N1	0.487	1.400	-0.188
H2	-0.304	1.955	0.062
H3	1.345	1.894	-0.049
N4	-2.053	-0.149	0.036
H5	-2.320	0.633	-0.521
H6	-2.337	-0.089	0.990
C7	-0.740	-0.738	-0.237
H8	-0.733	-1.753	0.154
H9	-0.620	-0.802	-1.313
C10	1.787	-0.677	-0.023
H11	1.798	-1.699	0.346
H12	1.914	-0.696	-1.102
H13	2.641	-0.161	0.409
C14	0.470	0.025	0.346
H15	0.373	0.025	1.438

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		0.9992	0.9998	2.9832	2.9298	3.4032	2.4655	3.3980	2.7091	2.4552	3.4066	2.6948	2.7258	1.4744	2.1318
H2	0.9992		1.6546	2.7356	2.4807	3.0286	2.7449	3.7343	3.0973	3.3632	4.2257	3.6477	3.6436	2.0991	2.4656
H3	0.9998	1.6546		3.9656	3.9053	4.3096	3.3632	4.2028	3.5676	2.6089	3.6432	2.8531	2.4721	2.1011	2.5784
N4	2.9832	2.7356	3.9656		0.9962	0.9973	1.4653	2.0808	2.0738	3.8766	4.1628	4.1632	4.7092	2.5478	2.8075
H5	2.9298	2.4807	3.9053	0.9962		1.6747	2.1120	2.9440	2.3619	4.3400	4.8116	4.4760	5.1104	2.9847	3.3859
H6	3.4032	3.0286	4.3096	0.9973	1.6747		2.1164	2.4579	2.9601	4.2876	4.4842	4.7771	5.0131	2.8826	2.7499
C7	2.4655	2.7449	3.3632	1.4653	2.1120	2.1164		1.0873	1.0848	2.5363	2.7751	2.7916	3.4904	1.5444	2.1503
H8	3.3980	3.7343	4.2028	2.0808	2.9440	2.4579	1.0873		1.7518	2.7462	2.5390	3.1153	3.7405	2.1557	2.4563
H9	2.7091	3.0973	3.5676	2.0738	2.3619	2.9601	1.0848	1.7518		2.7332	3.0660	2.5448	3.7433	2.1500	3.0389
C10	2.4552	3.3632	2.6089	3.8766	4.3400	4.2876	2.5363	2.7462	2.7332		1.0870	1.0862	1.0881	1.5374	2.1506
H11	3.4066	4.2257	3.6432	4.1628	4.8116	4.4842	2.7751	2.5390	3.0660	1.0870		1.7655	1.7560	2.1764	2.4885
H12	2.6948	3.6477	2.8531	4.1632	4.4760	4.7771	2.7916	3.1153	2.5448	1.0862	1.7655		1.7605	2.1682	3.0565
H13	2.7258	3.6436	2.4721	4.7092	5.1104	5.0131	3.4904	3.7405	3.7433	1.0881	1.7560	1.7605		2.1803	2.4972
C14	1.4744	2.0991	2.1011	2.5478	2.9847	2.8826	1.5444	2.1557	2.1500	1.5374	2.1764	2.1682	2.1803		1.0961
H15	2.1318	2.4656	2.5784	2.8075	3.3859	2.7499	2.1503	2.4563	3.0389	2.1506	2.4885	3.0565	2.4972	1.0961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.492	N1	C14	C10	109.194
N1	C14	H15	111.206	H2	N1	H3	111.726
H2	N1	C14	114.759	H3	N1	C14	114.893
N4	C7	H8	108.303	N4	C7	H9	107.894
N4	C7	C14	115.649	H5	N4	H6	114.302
H5	N4	C7	116.903	H6	N4	C7	117.234
C7	C14	C10	110.771	C7	C14	H15	107.841
H8	C7	H9	107.512	H8	C7	C14	108.751
H9	C7	C14	108.452	C10	C14	H15	108.330
H11	C10	H12	108.664	H11	C10	H13	107.670
H11	C10	C14	110.879	H12	C10	H13	108.124
H12	C10	C14	110.278	H13	C10	C14	111.125

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

using model chemistry: HF/CEP-121G

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	-0.749
2	H	0.277
3	H	0.288
4	N	-0.730
5	H	0.294
6	H	0.281
7	C	-0.113
8	H	0.125
9	H	0.138
10	C	-0.509
11	H	0.141
12	H	0.156
13	H	0.140
14	C	0.176
15	H	0.086

	x	y	z	Total
	0.780	1.019	1.656	2.095
CHELPG
AIM
ESP

	x	y	z
x	7.447	-0.193	-0.083
y	-0.193	6.925	-0.140
z	-0.083	-0.140	6.353

<r²>	122.967
(<r²>)^1/2	11.089

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

using model chemistry: HF/CEP-121G

States and conformations

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