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	hartrees
Energy at 0K	-189.977042
Energy at 298.15K	-189.987407
HF Energy	-189.288002
Nuclear repulsion energy	131.078068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3478	3337	0.00
2	A_g	3039	2916	0.00
3	A_g	1672	1604	0.00
4	A_g	1485	1425	0.00
5	A_g	1420	1362	0.00
6	A_g	1155	1108	0.00
7	A_g	1108	1063	0.00
8	A_g	906	869	0.00
9	A_g	468	449	0.00
10	A_u	3558	3414	1.31
11	A_u	3100	2974	78.25
12	A_u	1414	1356	3.02
13	A_u	1086	1042	0.82
14	A_u	764	733	0.09
15	A_u	294	282	99.16
16	A_u	154	148	0.34
17	B_g	3559	3414	0.00
18	B_g	3075	2950	0.00
19	B_g	1389	1332	0.00
20	B_g	1311	1258	0.00
21	B_g	959	920	0.00
22	B_g	328	315	0.00
23	B_u	3478	3336	4.08
24	B_u	3042	2919	91.48
25	B_u	1670	1602	33.75
26	B_u	1501	1440	0.25
27	B_u	1337	1282	38.82
28	B_u	1118	1072	5.97
29	B_u	958	919	317.28
30	B_u	277	266	17.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.399	0.658	0.000
C2	-0.399	-0.658	0.000
N3	-0.399	1.890	0.000
N4	0.399	-1.890	0.000
H5	1.029	-1.862	0.809
H6	1.029	-1.862	-0.809
H7	-1.029	1.862	0.809
H8	-1.029	1.862	-0.809
H9	-1.064	-0.677	-0.887
H10	-1.064	-0.677	0.887
H11	1.064	0.677	-0.887
H12	1.064	0.677	0.887

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5389	1.4682	2.5475	2.7204	2.7204	2.0358	2.0358	2.1706	2.1706	1.1086	1.1086
C2	1.5389		2.5475	1.4682	2.0358	2.0358	2.7204	2.7204	1.1086	1.1086	2.1706	2.1706
N3	1.4682	2.5475		3.8630	4.0952	4.0952	1.0256	1.0256	2.7962	2.7962	2.0973	2.0973
N4	2.5475	1.4682	3.8630		1.0256	1.0256	4.0952	4.0952	2.0973	2.0973	2.7962	2.7962
H5	2.7204	2.0358	4.0952	1.0256		1.6188	4.2546	4.5521	2.9429	2.4063	3.0541	2.5409
H6	2.7204	2.0358	4.0952	1.0256	1.6188		4.5521	4.2546	2.4063	2.9429	2.5409	3.0541
H7	2.0358	2.7204	1.0256	4.0952	4.2546	4.5521		1.6188	3.0541	2.5409	2.9429	2.4063
H8	2.0358	2.7204	1.0256	4.0952	4.5521	4.2546	1.6188		2.5409	3.0541	2.4063	2.9429
H9	2.1706	1.1086	2.7962	2.0973	2.9429	2.4063	3.0541	2.5409		1.7734	2.5234	3.0843
H10	2.1706	1.1086	2.7962	2.0973	2.4063	2.9429	2.5409	3.0541	1.7734		3.0843	2.5234
H11	1.1086	2.1706	2.0973	2.7962	3.0541	2.5409	2.9429	2.4063	2.5234	3.0843		1.7734
H12	1.1086	2.1706	2.0973	2.7962	2.5409	3.0541	2.4063	2.9429	3.0843	2.5234	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	115.784	C1	C2	H9	109.058
C1	C2	H10	109.058	C1	N3	H7	108.126
C1	N3	H8	108.126	C2	C1	N3	115.784
C2	C1	H11	109.058	C2	C1	H12	109.058
C2	N4	H5	108.126	C2	N4	H6	108.126
N3	C1	H11	108.146	N3	C1	H12	108.146
N4	C2	H9	108.146	N4	C2	H10	108.146
H5	N4	H6	104.223	H7	N3	H8	104.223
H9	C2	H10	106.229	H11	C1	H12	106.229

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)

using model chemistry: QCISD/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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All results from a given calculation for C2H8N2 (Ethylenediamine)

using model chemistry: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₈N₂ (Ethylenediamine)