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	hartrees
Energy at 0K	-34.971567
Energy at 298.15K	-34.981925
Nuclear repulsion energy	78.077149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3734	3353	0.00
2	A_g	3224	2895	0.00
3	A_g	1828	1642	0.00
4	A_g	1615	1450	0.00
5	A_g	1546	1389	0.00
6	A_g	1186	1065	0.00
7	A_g	1157	1039	0.00
8	A_g	930	835	0.00
9	A_g	484	435	0.00
10	A_u	3823	3433	0.03
11	A_u	3277	2943	156.03
12	A_u	1506	1352	1.21
13	A_u	1140	1024	2.12
14	A_u	795	714	0.02
15	A_u	264	237	146.95
16	A_u	153	138	0.22
17	B_g	3823	3433	0.00
18	B_g	3246	2915	0.00
19	B_g	1480	1329	0.00
20	B_g	1396	1254	0.00
21	B_g	998	896	0.00
22	B_g	295	265	0.00
23	B_u	3734	3353	1.14
24	B_u	3225	2896	152.54
25	B_u	1826	1640	57.06
26	B_u	1626	1461	0.52
27	B_u	1439	1292	53.34
28	B_u	1153	1035	42.81
29	B_u	974	875	408.20
30	B_u	293	263	24.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.404	0.658	0.000
C2	-0.404	-0.658	0.000
N3	-0.404	1.883	0.000
N4	0.404	-1.883	0.000
H5	1.005	-1.905	0.808
H6	1.005	-1.905	-0.808
H7	-1.005	1.905	0.808
H8	-1.005	1.905	-0.808
H9	-1.057	-0.685	-0.877
H10	-1.057	-0.685	0.877
H11	1.057	0.685	-0.877
H12	1.057	0.685	0.877

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5451	1.4681	2.5415	2.7538	2.7538	2.0478	2.0478	2.1698	2.1698	1.0929	1.0929
C2	1.5451		2.5415	1.4681	2.0478	2.0478	2.7538	2.7538	1.0929	1.0929	2.1698	2.1698
N3	1.4681	2.5415		3.8525	4.1219	4.1219	1.0069	1.0069	2.7913	2.7913	2.0829	2.0829
N4	2.5415	1.4681	3.8525		1.0069	1.0069	4.1219	4.1219	2.0829	2.0829	2.7913	2.7913
H5	2.7538	2.0478	4.1219	1.0069		1.6161	4.3075	4.6007	2.9284	2.3963	3.0903	2.5916
H6	2.7538	2.0478	4.1219	1.0069	1.6161		4.6007	4.3075	2.3963	2.9284	2.5916	3.0903
H7	2.0478	2.7538	1.0069	4.1219	4.3075	4.6007		1.6161	3.0903	2.5916	2.9284	2.3963
H8	2.0478	2.7538	1.0069	4.1219	4.6007	4.3075	1.6161		2.5916	3.0903	2.3963	2.9284
H9	2.1698	1.0929	2.7913	2.0829	2.9284	2.3963	3.0903	2.5916		1.7532	2.5188	3.0689
H10	2.1698	1.0929	2.7913	2.0829	2.3963	2.9284	2.5916	3.0903	1.7532		3.0689	2.5188
H11	1.0929	2.1698	2.0829	2.7913	3.0903	2.5916	2.9284	2.3963	2.5188	3.0689		1.7532
H12	1.0929	2.1698	2.0829	2.7913	2.5916	3.0903	2.3963	2.9284	3.0689	2.5188	1.7532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	114.992	C1	C2	H9	109.481
C1	C2	H10	109.481	C1	N3	H7	110.274
C1	N3	H8	110.274	C2	C1	N3	114.992
C2	C1	H11	109.481	C2	C1	H12	109.481
C2	N4	H5	110.274	C2	N4	H6	110.274
N3	C1	H11	107.948	N3	C1	H12	107.948
N4	C2	H9	107.948	N4	C2	H10	107.948
H5	N4	H6	106.737	H7	N3	H8	106.737
H9	C2	H10	106.657	H11	C1	H12	106.657

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/CEP-31G*

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	-0.111
2	C	-0.111
3	N	-0.627
4	N	-0.627
5	H	0.276
6	H	0.276
7	H	0.276
8	H	0.276
9	H	0.093
10	H	0.093
11	H	0.093
12	H	0.093

	x	y	z
x	4.902	-0.593	0.000
y	-0.593	5.420	0.000
z	0.000	0.000	4.955

<r²>	90.041
(<r²>)^1/2	9.489

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)