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	hartrees
Energy at 0K	-190.453211
Energy at 298.15K	-190.463488
HF Energy	-190.453211
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3519	3338	0.00
2	A_g	3050	2893	0.00
3	A_g	1712	1624	0.00
4	A_g	1513	1435	0.00
5	A_g	1441	1367	0.00
6	A_g	1153	1093	0.00
7	A_g	1082	1026	0.00
8	A_g	873	828	0.00
9	A_g	470	446	0.00
10	A_u	3608	3423	0.08
11	A_u	3111	2951	80.10
12	A_u	1425	1352	2.23
13	A_u	1102	1046	0.33
14	A_u	764	724	0.46
15	A_u	276	262	127.71
16	A_u	153	146	1.10
17	B_g	3609	3423	0.00
18	B_g	3085	2926	0.00
19	B_g	1401	1328	0.00
20	B_g	1326	1258	0.00
21	B_g	965	916	0.00
22	B_g	309	293	0.00
23	B_u	3519	3338	1.63
24	B_u	3056	2899	94.70
25	B_u	1711	1623	53.19
26	B_u	1528	1450	1.26
27	B_u	1362	1292	25.26
28	B_u	1127	1069	11.65
29	B_u	910	863	444.60
30	B_u	282	268	20.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.659	0.000
C2	-0.398	-0.659	0.000
N3	-0.398	1.881	0.000
N4	0.398	-1.881	0.000
H5	1.003	-1.908	0.816
H6	1.003	-1.908	-0.816
H7	-1.003	1.908	0.816
H8	-1.003	1.908	-0.816
H9	-1.056	-0.680	-0.879
H10	-1.056	-0.680	0.879
H11	1.056	0.680	-0.879
H12	1.056	0.680	0.879

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5397	1.4588	2.5402	2.7603	2.7603	2.0464	2.0464	2.1637	2.1637	1.0980	1.0980
C2	1.5397		2.5402	1.4588	2.0464	2.0464	2.7603	2.7603	1.0980	1.0980	2.1637	2.1637
N3	1.4588	2.5402		3.8459	4.1213	4.1213	1.0161	1.0161	2.7871	2.7871	2.0807	2.0807
N4	2.5402	1.4588	3.8459		1.0161	1.0161	4.1213	4.1213	2.0807	2.0807	2.7871	2.7871
H5	2.7603	2.0464	4.1213	1.0161		1.6323	4.3104	4.6091	2.9357	2.3980	3.0941	2.5895
H6	2.7603	2.0464	4.1213	1.0161	1.6323		4.6091	4.3104	2.3980	2.9357	2.5895	3.0941
H7	2.0464	2.7603	1.0161	4.1213	4.3104	4.6091		1.6323	3.0941	2.5895	2.9357	2.3980
H8	2.0464	2.7603	1.0161	4.1213	4.6091	4.3104	1.6323		2.5895	3.0941	2.3980	2.9357
H9	2.1637	1.0980	2.7871	2.0807	2.9357	2.3980	3.0941	2.5895		1.7570	2.5133	3.0666
H10	2.1637	1.0980	2.7871	2.0807	2.3980	2.9357	2.5895	3.0941	1.7570		3.0666	2.5133
H11	1.0980	2.1637	2.0807	2.7871	3.0941	2.5895	2.9357	2.3980	2.5133	3.0666		1.7570
H12	1.0980	2.1637	2.0807	2.7871	2.5895	3.0941	2.3980	2.9357	3.0666	2.5133	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.782	C1	C2	H9	109.077
C1	C2	H10	109.077	C1	N3	H7	110.280
C1	N3	H8	110.280	C2	C1	N3	115.782
C2	C1	H11	109.077	C2	C1	H12	109.077
C2	N4	H5	110.280	C2	N4	H6	110.280
N3	C1	H11	108.108	N3	C1	H12	108.108
N4	C2	H9	108.108	N4	C2	H10	108.108
H5	N4	H6	106.881	H7	N3	H8	106.881
H9	C2	H10	106.275	H11	C1	H12	106.275

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: wB97X-D/6-31G*

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	-0.189
2	C	-0.189
3	N	-0.739
4	N	-0.739
5	H	0.311
6	H	0.311
7	H	0.311
8	H	0.311
9	H	0.153
10	H	0.153
11	H	0.153
12	H	0.153

	x	y	z
x	5.184	-0.685	0.000
y	-0.685	5.498	0.000
z	0.000	0.000	5.257

<r²>	106.379
(<r²>)^1/2	10.314

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)