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	hartrees
Energy at 0K	-189.534289
Energy at 298.15K	-189.544265
Nuclear repulsion energy	132.009029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3412	3386	0.00
2	A_g	2942	2919	0.00
3	A_g	1569	1557	0.00
4	A_g	1383	1372	0.00
5	A_g	1316	1306	0.00
6	A_g	1128	1119	0.00
7	A_g	1058	1050	0.00
8	A_g	752	746	0.00
9	A_g	454	450	0.00
10	A_u	3499	3472	5.94
11	A_u	3007	2984	47.38
12	A_u	1318	1308	1.75
13	A_u	1018	1011	0.05
14	A_u	724	719	1.44
15	A_u	233	231	91.58
16	A_u	139	138	1.33
17	B_g	3500	3473	0.00
18	B_g	2980	2958	0.00
19	B_g	1296	1286	0.00
20	B_g	1233	1223	0.00
21	B_g	898	892	0.00
22	B_g	273	271	0.00
23	B_u	3411	3385	3.13
24	B_u	2952	2930	82.86
25	B_u	1568	1557	50.97
26	B_u	1399	1388	2.48
27	B_u	1241	1232	11.09
28	B_u	1118	1110	32.43
29	B_u	773	767	356.54
30	B_u	257	255	22.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.393	0.651	0.000
C2	-0.393	-0.651	0.000
N3	-0.393	1.863	0.000
N4	0.393	-1.863	0.000
H5	1.002	-1.909	0.824
H6	1.002	-1.909	-0.824
H7	-1.002	1.909	0.824
H8	-1.002	1.909	-0.824
H9	-1.065	-0.666	-0.886
H10	-1.065	-0.666	0.886
H11	1.065	0.666	-0.886
H12	1.065	0.666	0.886

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5205	1.4441	2.5136	2.7577	2.7577	2.0517	2.0517	2.1551	2.1551	1.1122	1.1122
C2	1.5205		2.5136	1.4441	2.0517	2.0517	2.7577	2.7577	1.1122	1.1122	2.1551	2.1551
N3	1.4441	2.5136		3.8073	4.1052	4.1052	1.0264	1.0264	2.7624	2.7624	2.0838	2.0838
N4	2.5136	1.4441	3.8073		1.0264	1.0264	4.1052	4.1052	2.0838	2.0838	2.7624	2.7624
H5	2.7577	2.0517	4.1052	1.0264		1.6490	4.3125	4.6170	2.9572	2.4131	3.0920	2.5765
H6	2.7577	2.0517	4.1052	1.0264	1.6490		4.6170	4.3125	2.4131	2.9572	2.5765	3.0920
H7	2.0517	2.7577	1.0264	4.1052	4.3125	4.6170		1.6490	3.0920	2.5765	2.9572	2.4131
H8	2.0517	2.7577	1.0264	4.1052	4.6170	4.3125	1.6490		2.5765	3.0920	2.4131	2.9572
H9	2.1551	1.1122	2.7624	2.0838	2.9572	2.4131	3.0920	2.5765		1.7720	2.5121	3.0742
H10	2.1551	1.1122	2.7624	2.0838	2.4131	2.9572	2.5765	3.0920	1.7720		3.0742	2.5121
H11	1.1122	2.1551	2.0838	2.7624	3.0920	2.5765	2.9572	2.4131	2.5121	3.0742		1.7720
H12	1.1122	2.1551	2.0838	2.7624	2.5765	3.0920	2.4131	2.9572	3.0742	2.5121	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.935	C1	C2	H9	108.896
C1	C2	H10	108.896	C1	N3	H7	111.162
C1	N3	H8	111.162	C2	C1	N3	115.935
C2	C1	H11	108.896	C2	C1	H12	108.896
C2	N4	H5	111.162	C2	N4	H6	111.162
N3	C1	H11	108.504	N3	C1	H12	108.504
N4	C2	H9	108.504	N4	C2	H10	108.504
H5	N4	H6	106.881	H7	N3	H8	106.881
H9	C2	H10	105.616	H11	C1	H12	105.616

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: SVWN/aug-cc-pVDZ

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	0.775
2	C	0.775
3	N	-0.131
4	N	-0.131
5	H	-0.028
6	H	-0.028
7	H	-0.028
8	H	-0.028
9	H	-0.295
10	H	-0.295
11	H	-0.295
12	H	-0.295

	x	y	z
x	7.629	-0.371	0.000
y	-0.371	8.518	0.000
z	0.000	0.000	6.709

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)