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	hartrees
Energy at 0K	-189.307826
Energy at 298.15K	-189.318240
Nuclear repulsion energy	132.237340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3718	3385	0.00
2	A_g	3164	2881	0.00
3	A_g	1782	1623	0.00
4	A_g	1592	1449	0.00
5	A_g	1525	1389	0.00
6	A_g	1189	1083	0.00
7	A_g	1145	1042	0.00
8	A_g	889	809	0.00
9	A_g	491	447	0.00
10	A_u	3799	3460	3.63
11	A_u	3217	2930	100.57
12	A_u	1495	1361	0.35
13	A_u	1139	1037	0.49
14	A_u	808	736	0.18
15	A_u	266	242	100.71
16	A_u	155	141	0.30
17	B_g	3800	3460	0.00
18	B_g	3187	2902	0.00
19	B_g	1470	1338	0.00
20	B_g	1396	1271	0.00
21	B_g	1006	916	0.00
22	B_g	296	270	0.00
23	B_u	3717	3385	2.14
24	B_u	3168	2885	110.22
25	B_u	1781	1622	56.94
26	B_u	1605	1462	1.52
27	B_u	1429	1302	25.17
28	B_u	1156	1053	41.60
29	B_u	928	845	366.78
30	B_u	303	276	18.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.653	0.000
C2	-0.399	-0.653	0.000
N3	-0.399	1.869	0.000
N4	0.399	-1.869	0.000
H5	0.993	-1.915	0.807
H6	0.993	-1.915	-0.807
H7	-0.993	1.915	0.807
H8	-0.993	1.915	-0.807
H9	-1.053	-0.677	-0.875
H10	-1.053	-0.677	0.875
H11	1.053	0.677	-0.875
H12	1.053	0.677	0.875

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5309	1.4544	2.5223	2.7573	2.7573	2.0450	2.0450	2.1545	2.1545	1.0924	1.0924
C2	1.5309		2.5223	1.4544	2.0450	2.0450	2.7573	2.7573	1.0924	1.0924	2.1545	2.1545
N3	1.4544	2.5223		3.8224	4.1124	4.1124	1.0032	1.0032	2.7703	2.7703	2.0723	2.0723
N4	2.5223	1.4544	3.8224		1.0032	1.0032	4.1124	4.1124	2.0723	2.0723	2.7703	2.7703
H5	2.7573	2.0450	4.1124	1.0032		1.6144	4.3150	4.6071	2.9237	2.3923	3.0908	2.5939
H6	2.7573	2.0450	4.1124	1.0032	1.6144		4.6071	4.3150	2.3923	2.9237	2.5939	3.0908
H7	2.0450	2.7573	1.0032	4.1124	4.3150	4.6071		1.6144	3.0908	2.5939	2.9237	2.3923
H8	2.0450	2.7573	1.0032	4.1124	4.6071	4.3150	1.6144		2.5939	3.0908	2.3923	2.9237
H9	2.1545	1.0924	2.7703	2.0723	2.9237	2.3923	3.0908	2.5939		1.7498	2.5030	3.0540
H10	2.1545	1.0924	2.7703	2.0723	2.3923	2.9237	2.5939	3.0908	1.7498		3.0540	2.5030
H11	1.0924	2.1545	2.0723	2.7703	3.0908	2.5939	2.9237	2.3923	2.5030	3.0540		1.7498
H12	1.0924	2.1545	2.0723	2.7703	2.5939	3.0908	2.3923	2.9237	3.0540	2.5030	1.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.304	C1	C2	H9	109.291
C1	C2	H10	109.291	C1	N3	H7	111.312
C1	N3	H8	111.312	C2	C1	N3	115.304
C2	C1	H11	109.291	C2	C1	H12	109.291
C2	N4	H5	111.312	C2	N4	H6	111.312
N3	C1	H11	108.077	N3	C1	H12	108.077
N4	C2	H9	108.077	N4	C2	H10	108.077
H5	N4	H6	107.156	H7	N3	H8	107.156
H9	C2	H10	106.434	H11	C1	H12	106.434

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	0.688
2	C	0.688
3	N	-0.433
4	N	-0.433
5	H	-0.012
6	H	-0.012
7	H	-0.012
8	H	-0.012
9	H	-0.115
10	H	-0.115
11	H	-0.115
12	H	-0.115

	x	y	z
x	6.290	-0.381	0.000
y	-0.381	7.106	0.000
z	0.000	0.000	5.822

<r²>	106.285
(<r²>)^1/2	10.309

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)