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	hartrees
Energy at 0K	-190.392270
Energy at 298.15K	-190.402474
HF Energy	-190.392270
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3368	3302	0.00
2	A_g	2959	2901	0.00
3	A_g	1677	1645	0.00
4	A_g	1478	1449	0.00
5	A_g	1387	1360	0.00
6	A_g	1110	1089	0.00
7	A_g	1025	1005	0.00
8	A_g	858	842	0.00
9	A_g	450	441	0.00
10	A_u	3458	3391	5.08
11	A_u	3020	2961	92.97
12	A_u	1395	1368	2.64
13	A_u	1077	1056	0.45
14	A_u	752	737	0.60
15	A_u	289	283	118.75
16	A_u	145	143	0.12
17	B_g	3459	3391	0.00
18	B_g	2992	2933	0.00
19	B_g	1370	1343	0.00
20	B_g	1297	1271	0.00
21	B_g	944	925	0.00
22	B_g	325	319	0.00
23	B_u	3368	3302	9.60
24	B_u	2967	2909	109.46
25	B_u	1676	1643	38.56
26	B_u	1497	1467	0.33
27	B_u	1321	1295	32.60
28	B_u	1072	1051	6.35
29	B_u	901	884	400.97
30	B_u	264	259	18.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.398	0.663	0.000
C2	-0.398	-0.663	0.000
N3	-0.398	1.898	0.000
N4	0.398	-1.898	0.000
H5	1.021	-1.888	0.813
H6	1.021	-1.888	-0.813
H7	-1.021	1.888	0.813
H8	-1.021	1.888	-0.813
H9	-1.060	-0.684	-0.883
H10	-1.060	-0.684	0.883
H11	1.060	0.684	-0.883
H12	1.060	0.684	0.883

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5460	1.4702	2.5608	2.7484	2.7484	2.0439	2.0439	2.1727	2.1727	1.1040	1.1040
C2	1.5460		2.5608	1.4702	2.0439	2.0439	2.7484	2.7484	1.1040	1.1040	2.1727	2.1727
N3	1.4702	2.5608		3.8792	4.1244	4.1244	1.0244	1.0244	2.8084	2.8084	2.0932	2.0932
N4	2.5608	1.4702	3.8792		1.0244	1.0244	4.1244	4.1244	2.0932	2.0932	2.8084	2.8084
H5	2.7484	2.0439	4.1244	1.0244		1.6260	4.2928	4.5904	2.9427	2.4056	3.0812	2.5732
H6	2.7484	2.0439	4.1244	1.0244	1.6260		4.5904	4.2928	2.4056	2.9427	2.5732	3.0812
H7	2.0439	2.7484	1.0244	4.1244	4.2928	4.5904		1.6260	3.0812	2.5732	2.9427	2.4056
H8	2.0439	2.7484	1.0244	4.1244	4.5904	4.2928	1.6260		2.5732	3.0812	2.4056	2.9427
H9	2.1727	1.1040	2.8084	2.0932	2.9427	2.4056	3.0812	2.5732		1.7665	2.5236	3.0805
H10	2.1727	1.1040	2.8084	2.0932	2.4056	2.9427	2.5732	3.0812	1.7665		3.0805	2.5236
H11	1.1040	2.1727	2.0932	2.8084	3.0812	2.5732	2.9427	2.4056	2.5236	3.0805		1.7665
H12	1.1040	2.1727	2.0932	2.8084	2.5732	3.0812	2.4056	2.9427	3.0805	2.5236	1.7665

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	116.315	C1	C2	H9	108.872
C1	C2	H10	108.872	C1	N3	H7	109.862
C1	N3	H8	109.862	C2	C1	N3	116.315
C2	C1	H11	108.872	C2	C1	H12	108.872
C2	N4	H5	109.862	C2	N4	H6	109.862
N3	C1	H11	108.041	N3	C1	H12	108.041
N4	C2	H9	108.041	N4	C2	H10	108.041
H5	N4	H6	106.425	H7	N3	H8	106.425
H9	C2	H10	106.246	H11	C1	H12	106.246

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: B97D3/6-31G*

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	-0.170
2	C	-0.170
3	N	-0.691
4	N	-0.691
5	H	0.292
6	H	0.292
7	H	0.292
8	H	0.292
9	H	0.138
10	H	0.138
11	H	0.138
12	H	0.138

	x	y	z
x	5.404	-0.741	0.000
y	-0.741	5.935	0.000
z	0.000	0.000	5.396

<r²>	107.628
(<r²>)^1/2	10.374

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)