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	hartrees
Energy at 0K	-189.353577
Energy at 298.15K	-189.363948
HF Energy	-189.353577
Nuclear repulsion energy	132.629299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3722	3367	0.00
2	A_g	3152	2851	0.00
3	A_g	1794	1623	0.00
4	A_g	1608	1454	0.00
5	A_g	1535	1389	0.00
6	A_g	1184	1071	0.00
7	A_g	1136	1028	0.00
8	A_g	879	795	0.00
9	A_g	491	444	0.00
10	A_u	3800	3437	5.22
11	A_u	3201	2896	96.85
12	A_u	1502	1359	0.21
13	A_u	1144	1035	0.46
14	A_u	812	734	0.17
15	A_u	261	236	98.62
16	A_u	155	140	0.20
17	B_g	3801	3438	0.00
18	B_g	3169	2867	0.00
19	B_g	1480	1338	0.00
20	B_g	1405	1271	0.00
21	B_g	1008	912	0.00
22	B_g	289	262	0.00
23	B_u	3721	3366	2.52
24	B_u	3157	2856	106.45
25	B_u	1794	1622	57.53
26	B_u	1624	1469	1.36
27	B_u	1446	1308	23.94
28	B_u	1151	1041	42.76
29	B_u	917	829	379.48
30	B_u	302	273	17.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.652	0.000
C2	-0.398	-0.652	0.000
N3	-0.398	1.865	0.000
N4	0.398	-1.865	0.000
H5	0.984	-1.921	0.806
H6	0.984	-1.921	-0.806
H7	-0.984	1.921	0.806
H8	-0.984	1.921	-0.806
H9	-1.048	-0.675	-0.869
H10	-1.048	-0.675	0.869
H11	1.048	0.675	-0.869
H12	1.048	0.675	0.869

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5284	1.4506	2.5168	2.7594	2.7594	2.0422	2.0422	2.1470	2.1470	1.0853	1.0853
C2	1.5284		2.5168	1.4506	2.0422	2.0422	2.7594	2.7594	1.0853	1.0853	2.1470	2.1470
N3	1.4506	2.5168		3.8132	4.1099	4.1099	0.9980	0.9980	2.7620	2.7620	2.0642	2.0642
N4	2.5168	1.4506	3.8132		0.9980	0.9980	4.1099	4.1099	2.0642	2.0642	2.7620	2.7620
H5	2.7594	2.0422	4.1099	0.9980		1.6118	4.3170	4.6081	2.9132	2.3845	3.0905	2.5980
H6	2.7594	2.0422	4.1099	0.9980	1.6118		4.6081	4.3170	2.3845	2.9132	2.5980	3.0905
H7	2.0422	2.7594	0.9980	4.1099	4.3170	4.6081		1.6118	3.0905	2.5980	2.9132	2.3845
H8	2.0422	2.7594	0.9980	4.1099	4.6081	4.3170	1.6118		2.5980	3.0905	2.3845	2.9132
H9	2.1470	1.0853	2.7620	2.0642	2.9132	2.3845	3.0905	2.5980		1.7379	2.4938	3.0396
H10	2.1470	1.0853	2.7620	2.0642	2.3845	2.9132	2.5980	3.0905	1.7379		3.0396	2.4938
H11	1.0853	2.1470	2.0642	2.7620	3.0905	2.5980	2.9132	2.3845	2.4938	3.0396		1.7379
H12	1.0853	2.1470	2.0642	2.7620	2.5980	3.0905	2.3845	2.9132	3.0396	2.4938	1.7379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.285	C1	C2	H9	109.288
C1	C2	H10	109.288	C1	N3	H7	111.697
C1	N3	H8	111.697	C2	C1	N3	115.285
C2	C1	H11	109.288	C2	C1	H12	109.288
C2	N4	H5	111.697	C2	N4	H6	111.697
N3	C1	H11	108.113	N3	C1	H12	108.113
N4	C2	H9	108.113	N4	C2	H10	108.113
H5	N4	H6	107.709	H7	N3	H8	107.709
H9	C2	H10	106.382	H11	C1	H12	106.382

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/daug-cc-pVTZ

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	-0.509
2	C	-0.509
3	N	-0.563
4	N	-0.563
5	H	0.078
6	H	0.078
7	H	0.078
8	H	0.078
9	H	0.458
10	H	0.458
11	H	0.458
12	H	0.458

	x	y	z
x	6.251	-0.381	0.000
y	-0.381	7.071	0.000
z	0.000	0.000	5.788

<r²>	105.816
(<r²>)^1/2	10.287

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)