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	hartrees
Energy at 0K	-188.142166
Energy at 298.15K
HF Energy	-188.142166
Nuclear repulsion energy	118.359853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3824	3474	1.49	104.00	0.74	0.85
2	A	3734	3393	2.87	226.83	0.05	0.10
3	A	3292	2991	0.01	155.27	0.33	0.49
4	A	1915	1739	0.01	60.23	0.20	0.33
5	A	1784	1621	27.36	8.49	0.74	0.85
6	A	1447	1315	0.83	18.26	0.37	0.54
7	A	1378	1252	0.01	18.09	0.60	0.75
8	A	1112	1010	0.14	9.38	0.31	0.48
9	A	1049	953	80.09	0.41	0.61	0.76
10	A	896	814	153.15	1.78	0.42	0.59
11	A	590	536	1.26	7.82	0.31	0.47
12	A	331	301	2.77	3.21	0.52	0.68
13	A	258	235	15.91	1.25	0.75	0.86
14	B	3824	3474	5.22	34.16	0.75	0.86
15	B	3734	3392	2.47	55.76	0.75	0.86
16	B	3293	2992	57.91	0.14	0.75	0.86
17	B	1795	1631	63.65	3.45	0.75	0.86
18	B	1508	1370	6.76	0.48	0.75	0.86
19	B	1232	1120	115.81	0.31	0.75	0.86
20	B	1221	1109	3.45	1.08	0.75	0.86
21	B	942	856	114.13	19.28	0.75	0.86
22	B	827	751	307.83	0.01	0.75	0.86
23	B	353	320	21.06	0.28	0.75	0.86
24	B	240	218	127.14	0.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.582	0.016
C2	-0.310	-0.582	0.016
N3	-0.310	1.846	-0.095
N4	0.310	-1.846	-0.095
H5	1.388	0.623	0.016
H6	-1.388	-0.623	0.016
H7	-1.307	1.786	-0.070
H8	1.307	-1.786	-0.070
H9	-0.004	2.477	0.617
H10	0.004	-2.477	0.617

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3191	1.4123	2.4310	1.0788	2.0822	2.0176	2.5711	2.0129	3.1329
C2	1.3191		2.4310	1.4123	2.0822	1.0788	2.5711	2.0176	3.1329	2.0129
N3	1.4123	2.4310		3.7442	2.0956	2.6966	0.9987	3.9762	0.9992	4.3930
N4	2.4310	1.4123	3.7442		2.6966	2.0956	3.9762	0.9987	4.3930	0.9992
H5	1.0788	2.0822	2.0956	2.6966		3.0428	2.9362	2.4124	2.3954	3.4478
H6	2.0822	1.0788	2.6966	2.0956	3.0428		2.4124	2.9362	3.4478	2.3954
H7	2.0176	2.5711	0.9987	3.9762	2.9362	2.4124		4.4264	1.6264	4.5133
H8	2.5711	2.0176	3.9762	0.9987	2.4124	2.9362	4.4264		4.5133	1.6264
H9	2.0129	3.1329	0.9992	4.3930	2.3954	3.4478	1.6264	4.5133		4.9546
H10	3.1329	2.0129	4.3930	0.9992	3.4478	2.3954	4.5133	1.6264	4.9546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.715	C1	C2	H6	120.204
C1	N3	H7	112.486	C1	N3	H9	112.029
C2	C1	N3	125.715	C2	C1	H5	120.204
C2	N4	H8	112.486	C2	N4	H10	112.029
N3	C1	H5	113.876	N4	C2	H6	113.876
H7	N3	H9	108.990	H8	N4	H10	108.990

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/6-311G**

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	-0.004
2	C	-0.004
3	N	-0.473
4	N	-0.473
5	H	0.093
6	H	0.093
7	H	0.190
8	H	0.190
9	H	0.194
10	H	0.194

	x	y	z	Total
	0.000	0.000	2.358	2.358
CHELPG
AIM
ESP

	x	y	z
x	5.106	0.433	0.000
y	0.433	7.852	0.000
z	0.000	0.000	3.277

<r²>	96.987
(<r²>)^1/2	9.848

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)