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	hartrees
Energy at 0K	-188.173031
Energy at 298.15K
HF Energy	-188.173031
Nuclear repulsion energy	118.590035

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	3832	3473	2.95	92.69	0.74	0.85
2	A	3742	3392	2.01	239.77	0.05	0.10
3	A	3293	2985	0.00	151.38	0.29	0.45
4	A	1905	1726	0.22	78.37	0.15	0.26
5	A	1780	1613	23.62	7.00	0.74	0.85
6	A	1450	1315	0.70	22.93	0.30	0.46
7	A	1374	1245	0.01	15.18	0.57	0.73
8	A	1107	1003	0.50	8.68	0.18	0.31
9	A	1049	951	77.42	0.41	0.40	0.57
10	A	871	790	144.95	1.15	0.50	0.67
11	A	591	536	1.50	8.03	0.24	0.39
12	A	333	302	4.77	2.48	0.40	0.58
13	A	255	231	14.28	0.50	0.74	0.85
14	B	3832	3473	10.70	29.27	0.75	0.86
15	B	3742	3391	7.77	43.65	0.75	0.86
16	B	3295	2987	50.18	0.04	0.75	0.86
17	B	1789	1622	57.53	2.56	0.75	0.86
18	B	1510	1368	8.02	0.24	0.75	0.86
19	B	1226	1111	125.21	0.13	0.75	0.86
20	B	1218	1104	2.55	0.81	0.75	0.86
21	B	947	859	80.78	14.97	0.75	0.86
22	B	808	733	311.44	0.10	0.75	0.86
23	B	353	320	19.15	0.19	0.75	0.86
24	B	244	221	124.35	0.05	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	1.842	-0.093
N4	0.310	-1.842	-0.093
H5	1.385	0.621	0.019
H6	-1.385	-0.621	0.019
H7	-1.304	1.791	-0.067
H8	1.304	-1.791	-0.067
H9	0.007	2.485	0.599
H10	-0.007	-2.485	0.599

	C1	C2	N3	N4	H5	H6	H7	H8	H9	H10
C1		1.3164	1.4092	2.4250	1.0764	2.0776	2.0185	2.5728	2.0140	3.1365
C2	1.3164		2.4250	1.4092	2.0776	1.0764	2.5728	2.0185	3.1365	2.0140
N3	1.4092	2.4250		3.7352	2.0919	2.6895	0.9960	3.9747	0.9964	4.3922
N4	2.4250	1.4092	3.7352		2.6895	2.0919	3.9747	0.9960	4.3922	0.9964
H5	1.0764	2.0776	2.0919	2.6895		3.0360	2.9339	2.4143	2.3901	3.4525
H6	2.0776	1.0764	2.6895	2.0919	3.0360		2.4143	2.9339	3.4525	2.3901
H7	2.0185	2.5728	0.9960	3.9747	2.9339	2.4143		4.4302	1.6258	4.5174
H8	2.5728	2.0185	3.9747	0.9960	2.4143	2.9339	4.4302		4.5174	1.6258
H9	2.0140	3.1365	0.9964	4.3922	2.3901	3.4525	1.6258	4.5174		4.9700
H10	3.1365	2.0140	4.3922	0.9964	3.4525	2.3901	4.5174	1.6258	4.9700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N4	125.652	C1	C2	H6	120.196
C1	N3	H7	113.000	C1	N3	H9	112.569
C2	C1	N3	125.652	C2	C1	H5	120.196
C2	N4	H8	113.000	C2	N4	H10	112.569
N3	C1	H5	113.955	N4	C2	H6	113.955
H7	N3	H9	109.368	H8	N4	H10	109.368

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)

using model chemistry: HF/Def2TZVPP

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	0.043
2	C	0.043
3	N	-0.373
4	N	-0.373
5	H	0.033
6	H	0.033
7	H	0.144
8	H	0.144
9	H	0.153
10	H	0.153

	x	y	z	Total
	0.000	0.000	2.175	2.175
CHELPG
AIM
ESP

	x	y	z
x	5.478	0.350	0.000
y	0.350	8.423	0.000
z	0.000	0.000	4.247

<r²>	96.843
(<r²>)^1/2	9.841

All results from a given calculation for H2NCHCHNH2 (diaminoethylene)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for H₂NCHCHNH₂ (diaminoethylene)