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	hartrees
Energy at 0K	-190.481975
Energy at 298.15K	-190.492185
HF Energy	-190.481975
Nuclear repulsion energy	131.601278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3555	3386	0.00
2	A_g	3046	2901	0.00
3	A_g	1677	1598	0.00
4	A_g	1488	1418	0.00
5	A_g	1424	1356	0.00
6	A_g	1137	1083	0.00
7	A_g	1063	1013	0.00
8	A_g	811	773	0.00
9	A_g	469	447	0.00
10	A_u	3650	3477	4.10
11	A_u	3109	2962	74.58
12	A_u	1403	1337	0.82
13	A_u	1083	1032	0.29
14	A_u	757	721	0.18
15	A_u	263	250	122.57
16	A_u	149	142	0.84
17	B_g	3650	3477	0.00
18	B_g	3083	2937	0.00
19	B_g	1381	1315	0.00
20	B_g	1306	1244	0.00
21	B_g	951	906	0.00
22	B_g	289	275	0.00
23	B_u	3555	3386	0.66
24	B_u	3052	2907	94.54
25	B_u	1677	1597	72.30
26	B_u	1502	1431	2.25
27	B_u	1347	1283	17.67
28	B_u	1116	1063	31.73
29	B_u	840	801	436.24
30	B_u	284	271	22.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.658	0.000
C2	-0.399	-0.658	0.000
N3	-0.399	1.881	0.000
N4	0.399	-1.881	0.000
H5	0.996	-1.933	0.820
H6	0.996	-1.933	-0.820
H7	-0.996	1.933	0.820
H8	-0.996	1.933	-0.820
H9	-1.057	-0.679	-0.878
H10	-1.057	-0.679	0.878
H11	1.057	0.679	-0.878
H12	1.057	0.679	0.878

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5394	1.4602	2.5393	2.7829	2.7829	2.0601	2.0601	2.1629	2.1629	1.0973	1.0973
C2	1.5394		2.5393	1.4602	2.0601	2.0601	2.7829	2.7829	1.0973	1.0973	2.1629	2.1629
N3	1.4602	2.5393		3.8459	4.1435	4.1435	1.0153	1.0153	2.7851	2.7851	2.0823	2.0823
N4	2.5393	1.4602	3.8459		1.0153	1.0153	4.1435	4.1435	2.0823	2.0823	2.7851	2.7851
H5	2.7829	2.0601	4.1435	1.0153		1.6390	4.3498	4.6484	2.9446	2.4067	3.1159	2.6136
H6	2.7829	2.0601	4.1435	1.0153	1.6390		4.6484	4.3498	2.4067	2.9446	2.6136	3.1159
H7	2.0601	2.7829	1.0153	4.1435	4.3498	4.6484		1.6390	3.1159	2.6136	2.9446	2.4067
H8	2.0601	2.7829	1.0153	4.1435	4.6484	4.3498	1.6390		2.6136	3.1159	2.4067	2.9446
H9	2.1629	1.0973	2.7851	2.0823	2.9446	2.4067	3.1159	2.6136		1.7559	2.5123	3.0651
H10	2.1629	1.0973	2.7851	2.0823	2.4067	2.9446	2.6136	3.1159	1.7559		3.0651	2.5123
H11	1.0973	2.1629	2.0823	2.7851	3.1159	2.6136	2.9446	2.4067	2.5123	3.0651		1.7559
H12	1.0973	2.1629	2.0823	2.7851	2.6136	3.1159	2.4067	2.9446	3.0651	2.5123	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.649	C1	C2	H9	109.078
C1	C2	H10	109.078	C1	N3	H7	111.380
C1	N3	H8	111.380	C2	C1	N3	115.649
C2	C1	H11	109.078	C2	C1	H12	109.078
C2	N4	H5	111.380	C2	N4	H6	111.380
N3	C1	H11	108.178	N3	C1	H12	108.178
N4	C2	H9	108.178	N4	C2	H10	108.178
H5	N4	H6	107.640	H7	N3	H8	107.640
H9	C2	H10	106.276	H11	C1	H12	106.276

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: wB97X-D/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	-0.239
2	C	-0.239
3	N	-0.647
4	N	-0.647
5	H	0.296
6	H	0.296
7	H	0.296
8	H	0.296
9	H	0.147
10	H	0.147
11	H	0.147
12	H	0.147

	x	y	z
x	6.282	-0.287	0.000
y	-0.287	7.052	0.000
z	0.000	0.000	5.718

<r²>	107.185
(<r²>)^1/2	10.353

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)