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	hartrees
Energy at 0K	-189.349408
Energy at 298.15K	-189.359831
Nuclear repulsion energy	132.635628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3716	3382	0.00
2	A_g	3147	2864	0.00
3	A_g	1795	1634	0.00
4	A_g	1609	1464	0.00
5	A_g	1536	1398	0.00
6	A_g	1187	1080	0.00
7	A_g	1142	1039	0.00
8	A_g	895	814	0.00
9	A_g	491	447	0.00
10	A_u	3795	3454	1.94
11	A_u	3195	2908	104.68
12	A_u	1504	1369	0.36
13	A_u	1146	1043	0.32
14	A_u	813	740	0.18
15	A_u	268	244	98.64
16	A_u	157	143	0.38
17	B_g	3795	3454	0.00
18	B_g	3163	2878	0.00
19	B_g	1481	1347	0.00
20	B_g	1405	1279	0.00
21	B_g	1011	920	0.00
22	B_g	295	268	0.00
23	B_u	3716	3382	0.92
24	B_u	3152	2869	113.91
25	B_u	1794	1633	54.50
26	B_u	1625	1479	0.89
27	B_u	1446	1316	28.56
28	B_u	1153	1049	36.13
29	B_u	934	850	409.08
30	B_u	302	274	17.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.652	0.000
C2	-0.398	-0.652	0.000
N3	-0.398	1.866	0.000
N4	0.398	-1.866	0.000
H5	0.987	-1.913	0.805
H6	0.987	-1.913	-0.805
H7	-0.987	1.913	0.805
H8	-0.987	1.913	-0.805
H9	-1.049	-0.674	-0.869
H10	-1.049	-0.674	0.869
H11	1.049	0.674	-0.869
H12	1.049	0.674	0.869

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5279	1.4510	2.5178	2.7522	2.7522	2.0385	2.0385	2.1460	2.1460	1.0859	1.0859
C2	1.5279		2.5178	1.4510	2.0385	2.0385	2.7522	2.7522	1.0859	1.0859	2.1460	2.1460
N3	1.4510	2.5178		3.8150	4.1041	4.1041	0.9984	0.9984	2.7614	2.7614	2.0661	2.0661
N4	2.5178	1.4510	3.8150		0.9984	0.9984	4.1041	4.1041	2.0661	2.0661	2.7614	2.7614
H5	2.7522	2.0385	4.1041	0.9984		1.6090	4.3055	4.5963	2.9124	2.3845	3.0812	2.5881
H6	2.7522	2.0385	4.1041	0.9984	1.6090		4.5963	4.3055	2.3845	2.9124	2.5881	3.0812
H7	2.0385	2.7522	0.9984	4.1041	4.3055	4.5963		1.6090	3.0812	2.5881	2.9124	2.3845
H8	2.0385	2.7522	0.9984	4.1041	4.5963	4.3055	1.6090		2.5881	3.0812	2.3845	2.9124
H9	2.1460	1.0859	2.7614	2.0661	2.9124	2.3845	3.0812	2.5881		1.7377	2.4929	3.0388
H10	2.1460	1.0859	2.7614	2.0661	2.3845	2.9124	2.5881	3.0812	1.7377		3.0388	2.4929
H11	1.0859	2.1460	2.0661	2.7614	3.0812	2.5881	2.9124	2.3845	2.4929	3.0388		1.7377
H12	1.0859	2.1460	2.0661	2.7614	2.5881	3.0812	2.3845	2.9124	3.0388	2.4929	1.7377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.360	C1	C2	H9	109.206
C1	C2	H10	109.206	C1	N3	H7	111.312
C1	N3	H8	111.312	C2	C1	N3	115.360
C2	C1	H11	109.206	C2	C1	H12	109.206
C2	N4	H5	111.312	C2	N4	H6	111.312
N3	C1	H11	108.200	N3	C1	H12	108.200
N4	C2	H9	108.200	N4	C2	H10	108.200
H5	N4	H6	107.375	H7	N3	H8	107.375
H9	C2	H10	106.285	H11	C1	H12	106.285

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: HF/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	-0.062
2	C	-0.062
3	N	-0.381
4	N	-0.381
5	H	0.139
6	H	0.139
7	H	0.139
8	H	0.139
9	H	0.082
10	H	0.082
11	H	0.082
12	H	0.082

	x	y	z
x	5.748	-0.488	0.000
y	-0.488	6.237	0.000
z	0.000	0.000	5.513

<r²>	105.544
(<r²>)^1/2	10.273

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: HF/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)