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	hartrees
Energy at 0K	-189.090798
Energy at 298.15K
HF Energy	-189.090798
Nuclear repulsion energy	116.617873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3508	3487	1.33
2	A	3406	3386	0.06
3	A	3076	3058	0.10
4	A	1699	1688	0.71
5	A	1569	1559	16.23
6	A	1279	1272	0.48
7	A	1241	1234	0.00
8	A	1003	997	0.14
9	A	878	873	68.58
10	A	754	749	117.49
11	A	537	534	1.87
12	A	324	322	2.81
13	A	237	235	16.81
14	B	3507	3486	4.09
15	B	3404	3383	1.27
16	B	3081	3062	48.50
17	B	1576	1566	44.84
18	B	1335	1326	11.69
19	B	1158	1151	117.10
20	B	1081	1075	1.69
21	B	763	758	62.89
22	B	699	695	289.89
23	B	341	339	40.26
24	B	248	246	82.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.315	0.599	0.047
C2	-0.315	-0.599	0.047
N3	-0.315	1.860	-0.118
N4	0.315	-1.860	-0.118
H5	1.416	0.646	0.049
H6	-1.416	-0.646	0.049
H7	-1.335	1.800	-0.055
H8	1.335	-1.800	-0.055
H9	0.017	2.559	0.553
H10	-0.017	-2.559	0.553

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3535	1.4188	2.4647	1.1020	2.1320	2.0426	2.6086	2.0456	3.2154
C2	1.3535		2.4647	1.4188	2.1320	1.1020	2.6086	2.0426	3.2154	2.0456
N3	1.4188	2.4647		3.7728	2.1201	2.7427	1.0241	4.0146	1.0242	4.4793
N4	2.4647	1.4188	3.7728		2.7427	2.1201	4.0146	1.0241	4.4793	1.0242
H5	1.1020	2.1320	2.1201	2.7427		3.1126	2.9844	2.4495	2.4221	3.5468
H6	2.1320	1.1020	2.7427	2.1201	3.1126		2.4495	2.9844	3.5468	2.4221
H7	2.0426	2.6086	1.0241	4.0146	2.9844	2.4495		4.4812	1.6654	4.5935
H8	2.6086	2.0426	4.0146	1.0241	2.4495	2.9844	4.4812		4.5935	1.6654
H9	2.0456	3.2154	1.0242	4.4793	2.4221	3.5468	1.6654	4.5935		5.1176
H10	3.2154	2.0456	4.4793	1.0242	3.5468	2.4221	4.5935	1.6654	5.1176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.488	C1	C2	H6	120.165
C1	N3	H7	112.471	C1	N3	H9	112.723
C2	C1	N3	125.488	C2	C1	H5	120.165
C2	N4	H8	112.471	C2	N4	H10	112.723
N3	C1	H5	113.909	N4	C2	H6	113.909
H7	N3	H9	108.794	H8	N4	H10	108.794

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: PBEPBEultrafine/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	0.876
2	C	0.876
3	N	-0.220
4	N	-0.220
5	H	-0.565
6	H	-0.565
7	H	-0.048
8	H	-0.048
9	H	-0.043
10	H	-0.043

	x	y	z	Total
	0.000	0.000	1.926	1.926
CHELPG
AIM
ESP

	x	y	z
x	6.690	-0.115	0.000
y	-0.115	10.932	0.000
z	0.000	0.000	5.559

<r²>	99.540
(<r²>)^1/2	9.977

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)