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	hartrees
Energy at 0K	-189.936826
Energy at 298.15K	-189.947206
HF Energy	-189.288533
Nuclear repulsion energy	131.413287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3500	3327	0.00
2	A_g	3069	2916	0.00
3	A_g	1661	1579	0.00
4	A_g	1483	1409	0.00
5	A_g	1408	1338	0.00
6	A_g	1159	1101	0.00
7	A_g	1110	1054	0.00
8	A_g	899	854	0.00
9	A_g	470	446	0.00
10	A_u	3594	3416	0.00
11	A_u	3142	2986	67.69
12	A_u	1411	1341	3.37
13	A_u	1086	1032	0.66
14	A_u	768	730	0.30
15	A_u	299	284	101.96
16	A_u	158	150	0.29
17	B_g	3595	3417	0.00
18	B_g	3117	2963	0.00
19	B_g	1386	1318	0.00
20	B_g	1310	1245	0.00
21	B_g	959	912	0.00
22	B_g	335	319	0.00
23	B_u	3500	3326	1.59
24	B_u	3074	2922	85.24
25	B_u	1659	1577	35.87
26	B_u	1499	1425	0.53
27	B_u	1331	1265	33.61
28	B_u	1126	1070	6.53
29	B_u	945	898	334.75
30	B_u	275	261	17.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.656	0.000
C2	-0.397	-0.656	0.000
N3	-0.397	1.886	0.000
N4	0.397	-1.886	0.000
H5	1.026	-1.859	0.808
H6	1.026	-1.859	-0.808
H7	-1.026	1.859	0.808
H8	-1.026	1.859	-0.808
H9	-1.061	-0.674	-0.884
H10	-1.061	-0.674	0.884
H11	1.061	0.674	-0.884
H12	1.061	0.674	0.884

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5345	1.4640	2.5420	2.7151	2.7151	2.0305	2.0305	2.1630	2.1630	1.1055	1.1055
C2	1.5345		2.5420	1.4640	2.0305	2.0305	2.7151	2.7151	1.1055	1.1055	2.1630	2.1630
N3	1.4640	2.5420		3.8543	4.0862	4.0862	1.0238	1.0238	2.7883	2.7883	2.0920	2.0920
N4	2.5420	1.4640	3.8543		1.0238	1.0238	4.0862	4.0862	2.0920	2.0920	2.7883	2.7883
H5	2.7151	2.0305	4.0862	1.0238		1.6159	4.2454	4.5425	2.9359	2.4005	3.0460	2.5340
H6	2.7151	2.0305	4.0862	1.0238	1.6159		4.5425	4.2454	2.4005	2.9359	2.5340	3.0460
H7	2.0305	2.7151	1.0238	4.0862	4.2454	4.5425		1.6159	3.0460	2.5340	2.9359	2.4005
H8	2.0305	2.7151	1.0238	4.0862	4.5425	4.2454	1.6159		2.5340	3.0460	2.4005	2.9359
H9	2.1630	1.1055	2.7883	2.0920	2.9359	2.4005	3.0460	2.5340		1.7680	2.5142	3.0736
H10	2.1630	1.1055	2.7883	2.0920	2.4005	2.9359	2.5340	3.0460	1.7680		3.0736	2.5142
H11	1.1055	2.1630	2.0920	2.7883	3.0460	2.5340	2.9359	2.4005	2.5142	3.0736		1.7680
H12	1.1055	2.1630	2.0920	2.7883	2.5340	3.0460	2.4005	2.9359	3.0736	2.5142	1.7680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.922	C1	C2	H9	108.950
C1	C2	H10	108.950	C1	N3	H7	108.106
C1	N3	H8	108.106	C2	C1	N3	115.922
C2	C1	H11	108.950	C2	C1	H12	108.950
C2	N4	H5	108.106	C2	N4	H6	108.106
N3	C1	H11	108.201	N3	C1	H12	108.201
N4	C2	H9	108.201	N4	C2	H10	108.201
H5	N4	H6	104.221	H7	N3	H8	104.221
H9	C2	H10	106.188	H11	C1	H12	106.188

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: MP2=FULL/cc-pVDZ

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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All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)