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	hartrees
Energy at 0K	-190.424038
Energy at 298.15K	-190.434233
HF Energy	-190.168670
Nuclear repulsion energy	131.795369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3503	3360	0.00
2	A_g	3032	2909	0.00
3	A_g	1669	1601	0.00
4	A_g	1495	1435	0.00
5	A_g	1404	1347	0.00
6	A_g	1119	1074	0.00
7	A_g	1067	1023	0.00
8	A_g	839	805	0.00
9	A_g	459	440	0.00
10	A_u	3585	3439	0.41
11	A_u	3089	2963	67.88
12	A_u	1403	1346	1.41
13	A_u	1080	1036	0.28
14	A_u	765	734	0.42
15	A_u	255	245	92.79
16	A_u	148	142	0.00
17	B_g	3585	3440	0.00
18	B_g	3060	2936	0.00
19	B_g	1382	1326	0.00
20	B_g	1309	1256	0.00
21	B_g	949	910	0.00
22	B_g	287	276	0.00
23	B_u	3502	3360	2.01
24	B_u	3040	2917	85.66
25	B_u	1668	1601	42.59
26	B_u	1514	1452	0.66
27	B_u	1339	1285	19.28
28	B_u	1087	1042	15.13
29	B_u	877	842	384.27
30	B_u	271	260	17.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.656	0.000
C2	-0.397	-0.656	0.000
N3	-0.397	1.883	0.000
N4	0.397	-1.883	0.000
H5	0.999	-1.917	0.812
H6	0.999	-1.917	-0.812
H7	-0.999	1.917	0.812
H8	-0.999	1.917	-0.812
H9	-1.052	-0.673	-0.874
H10	-1.052	-0.673	0.874
H11	1.052	0.673	-0.874
H12	1.052	0.673	0.874

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5345	1.4613	2.5391	2.7647	2.7647	2.0493	2.0493	2.1518	2.1518	1.0922	1.0922
C2	1.5345		2.5391	1.4613	2.0493	2.0493	2.7647	2.7647	1.0922	1.0922	2.1518	2.1518
N3	1.4613	2.5391		3.8484	4.1289	4.1289	1.0117	1.0117	2.7788	2.7788	2.0807	2.0807
N4	2.5391	1.4613	3.8484		1.0117	1.0117	4.1289	4.1289	2.0807	2.0807	2.7788	2.7788
H5	2.7647	2.0493	4.1289	1.0117		1.6245	4.3236	4.6187	2.9327	2.4002	3.0905	2.5907
H6	2.7647	2.0493	4.1289	1.0117	1.6245		4.6187	4.3236	2.4002	2.9327	2.5907	3.0905
H7	2.0493	2.7647	1.0117	4.1289	4.3236	4.6187		1.6245	3.0905	2.5907	2.9327	2.4002
H8	2.0493	2.7647	1.0117	4.1289	4.6187	4.3236	1.6245		2.5907	3.0905	2.4002	2.9327
H9	2.1518	1.0922	2.7788	2.0807	2.9327	2.4002	3.0905	2.5907		1.7481	2.4972	3.0482
H10	2.1518	1.0922	2.7788	2.0807	2.4002	2.9327	2.5907	3.0905	1.7481		3.0482	2.4972
H11	1.0922	2.1518	2.0807	2.7788	3.0905	2.5907	2.9327	2.4002	2.4972	3.0482		1.7481
H12	1.0922	2.1518	2.0807	2.7788	2.5907	3.0905	2.4002	2.9327	3.0482	2.4972	1.7481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.869	C1	C2	H9	108.851
C1	C2	H10	108.851	C1	N3	H7	110.608
C1	N3	H8	110.608	C2	C1	N3	115.869
C2	C1	H11	108.851	C2	C1	H12	108.851
C2	N4	H5	110.608	C2	N4	H6	110.608
N3	C1	H11	108.271	N3	C1	H12	108.271
N4	C2	H9	108.271	N4	C2	H10	108.271
H5	N4	H6	106.810	H7	N3	H8	106.810
H9	C2	H10	106.317	H11	C1	H12	106.317

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B2PLYP/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	-0.086
2	C	-0.086
3	N	-0.347
4	N	-0.347
5	H	0.133
6	H	0.133
7	H	0.133
8	H	0.133
9	H	0.084
10	H	0.084
11	H	0.084
12	H	0.084

	x	y	z
x	6.209	-0.511	0.000
y	-0.511	6.830	0.000
z	0.000	0.000	5.850

<r²>	106.624
(<r²>)^1/2	10.326

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)