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	hartrees
Energy at 0K	-190.280236
Energy at 298.15K	-190.290369
Nuclear repulsion energy	130.830126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3388	3353	0.00
2	A_g	2940	2910	0.00
3	A_g	1617	1600	0.00
4	A_g	1426	1411	0.00
5	A_g	1343	1329	0.00
6	A_g	1106	1095	0.00
7	A_g	1026	1016	0.00
8	A_g	838	830	0.00
9	A_g	444	439	0.00
10	A_u	3467	3431	0.45
11	A_u	3002	2971	63.21
12	A_u	1360	1346	1.99
13	A_u	1048	1037	0.26
14	A_u	735	728	1.09
15	A_u	272	269	94.16
16	A_u	144	143	0.00
17	B_g	3468	3432	0.00
18	B_g	2974	2943	0.00
19	B_g	1336	1322	0.00
20	B_g	1263	1250	0.00
21	B_g	921	912	0.00
22	B_g	312	309	0.00
23	B_u	3387	3352	3.48
24	B_u	2949	2919	85.42
25	B_u	1615	1599	33.18
26	B_u	1445	1430	0.41
27	B_u	1281	1267	25.35
28	B_u	1075	1064	6.13
29	B_u	876	867	348.20
30	B_u	255	252	15.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	0.662	0.000
C2	-0.397	-0.662	0.000
N3	-0.397	1.897	0.000
N4	0.397	-1.897	0.000
H5	1.023	-1.885	0.813
H6	1.023	-1.885	-0.813
H7	-1.023	1.885	0.813
H8	-1.023	1.885	-0.813
H9	-1.063	-0.681	-0.884
H10	-1.063	-0.681	0.884
H11	1.063	0.681	-0.884
H12	1.063	0.681	0.884

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5435	1.4684	2.5587	2.7455	2.7455	2.0427	2.0427	2.1720	2.1720	1.1071	1.1071
C2	1.5435		2.5587	1.4684	2.0427	2.0427	2.7455	2.7455	1.1071	1.1071	2.1720	2.1720
N3	1.4684	2.5587		3.8761	4.1205	4.1205	1.0257	1.0257	2.8056	2.8056	2.0958	2.0958
N4	2.5587	1.4684	3.8761		1.0257	1.0257	4.1205	4.1205	2.0958	2.0958	2.8056	2.8056
H5	2.7455	2.0427	4.1205	1.0257		1.6251	4.2891	4.5867	2.9461	2.4097	3.0764	2.5674
H6	2.7455	2.0427	4.1205	1.0257	1.6251		4.5867	4.2891	2.4097	2.9461	2.5674	3.0764
H7	2.0427	2.7455	1.0257	4.1205	4.2891	4.5867		1.6251	3.0764	2.5674	2.9461	2.4097
H8	2.0427	2.7455	1.0257	4.1205	4.5867	4.2891	1.6251		2.5674	3.0764	2.4097	2.9461
H9	2.1720	1.1071	2.8056	2.0958	2.9461	2.4097	3.0764	2.5674		1.7678	2.5257	3.0829
H10	2.1720	1.1071	2.8056	2.0958	2.4097	2.9461	2.5674	3.0764	1.7678		3.0829	2.5257
H11	1.1071	2.1720	2.0958	2.8056	3.0764	2.5674	2.9461	2.4097	2.5257	3.0829		1.7678
H12	1.1071	2.1720	2.0958	2.8056	2.5674	3.0764	2.4097	2.9461	3.0829	2.5257	1.7678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.297	C1	C2	H9	108.945
C1	C2	H10	108.945	C1	N3	H7	108.669
C1	N3	H8	108.669	C2	C1	N3	116.297
C2	C1	H11	108.945	C2	C1	H12	108.945
C2	N4	H5	108.669	C2	N4	H6	108.669
N3	C1	H11	108.108	N3	C1	H12	108.108
N4	C2	H9	108.108	N4	C2	H10	108.108
H5	N4	H6	104.791	H7	N3	H8	104.791
H9	C2	H10	105.952	H11	C1	H12	105.952

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.172
2	C	-0.172
3	N	-0.496
4	N	-0.496
5	H	0.227
6	H	0.227
7	H	0.227
8	H	0.227
9	H	0.107
10	H	0.107
11	H	0.107
12	H	0.107

	x	y	z
x	5.738	-0.688	0.000
y	-0.688	6.348	0.000
z	0.000	0.000	5.599

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)