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	hartrees
Energy at 0K	-188.164454
Energy at 298.15K
HF Energy	-188.164454
Nuclear repulsion energy	118.571949

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	3838	3487	3.53	77.80	0.74	0.85
2	A	3749	3406	1.30	220.52	0.04	0.08
3	A	3290	2989	0.02	141.90	0.30	0.47
4	A	1902	1728	0.15	87.92	0.12	0.21
5	A	1777	1615	23.50	5.45	0.54	0.70
6	A	1450	1317	0.53	28.36	0.26	0.41
7	A	1371	1246	0.02	12.48	0.59	0.74
8	A	1105	1004	1.07	10.88	0.13	0.23
9	A	1048	952	77.56	0.96	0.29	0.46
10	A	858	780	141.29	1.66	0.43	0.60
11	A	590	536	1.85	8.38	0.17	0.29
12	A	332	302	5.50	1.50	0.37	0.54
13	A	252	229	13.61	0.30	0.74	0.85
14	B	3838	3487	14.41	26.50	0.75	0.86
15	B	3748	3405	10.37	42.20	0.75	0.86
16	B	3292	2991	46.58	0.00	0.75	0.86
17	B	1787	1624	63.71	1.73	0.75	0.86
18	B	1507	1370	7.82	0.28	0.75	0.86
19	B	1225	1113	135.76	0.09	0.75	0.86
20	B	1214	1103	0.03	0.72	0.75	0.86
21	B	946	860	69.24	13.89	0.75	0.86
22	B	799	726	293.81	0.10	0.75	0.86
23	B	351	319	17.16	0.14	0.75	0.86
24	B	242	220	123.23	0.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.310	0.581	0.017
C2	-0.310	-0.581	0.017
N3	-0.310	1.841	-0.093
N4	0.310	-1.841	-0.093
H5	1.386	0.622	0.019
H6	-1.386	-0.622	0.019
H7	-1.305	1.794	-0.066
H8	1.305	-1.794	-0.066
H9	0.010	2.489	0.595
H10	-0.010	-2.489	0.595

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3163	1.4090	2.4247	1.0766	2.0783	2.0211	2.5758	2.0159	3.1395
C2	1.3163		2.4247	1.4090	2.0783	1.0766	2.5758	2.0211	3.1395	2.0159
N3	1.4090	2.4247		3.7346	2.0916	2.6900	0.9966	3.9776	0.9969	4.3946
N4	2.4247	1.4090	3.7346		2.6900	2.0916	3.9776	0.9966	4.3946	0.9969
H5	1.0766	2.0783	2.0916	2.6900		3.0371	2.9358	2.4180	2.3898	3.4571
H6	2.0783	1.0766	2.6900	2.0916	3.0371		2.4180	2.9358	3.4571	2.3898
H7	2.0211	2.5758	0.9966	3.9776	2.9358	2.4180		4.4361	1.6272	4.5224
H8	2.5758	2.0211	3.9776	0.9966	2.4180	2.9358	4.4361		4.5224	1.6272
H9	2.0159	3.1395	0.9969	4.3946	2.3898	3.4571	1.6272	4.5224		4.9772
H10	3.1395	2.0159	4.3946	0.9969	3.4571	2.3898	4.5224	1.6272	4.9772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.631	C1	C2	H6	120.247
C1	N3	H7	113.206	C1	N3	H9	112.719
C2	C1	N3	125.631	C2	C1	H5	120.247
C2	N4	H8	113.206	C2	N4	H10	112.719
N3	C1	H5	113.926	N4	C2	H6	113.926
H7	N3	H9	109.430	H8	N4	H10	109.430

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/6-311+G(3df,2p)

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	0.448
2	C	0.448
3	N	-0.925
4	N	-0.925
5	H	0.120
6	H	0.120
7	H	0.175
8	H	0.175
9	H	0.183
10	H	0.183

	x	y	z	Total
	0.000	0.000	2.166	2.166
CHELPG
AIM
ESP

	x	y	z
x	5.681	0.304	0.000
y	0.304	8.765	0.000
z	0.000	0.000	4.749

<r²>	97.002
(<r²>)^1/2	9.849

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)