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	hartrees
Energy at 0K	-110.651295
Energy at 298.15K	-110.654003
HF Energy	-110.651295
Nuclear repulsion energy	32.154659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3113	0.00
2	A_g	1645	1584	0.00
3	A_g	1601	1541	0.00
4	A_u	1349	1298	95.57
5	B_u	3263	3140	30.10
6	B_u	1346	1296	73.72

Atom	x (Å)	y (Å)
N1	0.000	0.621
N2	0.000	-0.621
H3	0.987	0.935
H4	-0.987	-0.935

	N1	N2	H3	H4
N1		1.2428	1.0358	1.8431
N2	1.2428		1.8431	1.0358
H3	1.0358	1.8431		2.7194
H4	1.8431	1.0358	2.7194

Number	Element	Mulliken
1	N	-0.282
2	N	-0.282
3	H	0.282
4	H	0.282

All results from a given calculation for N₂H₂ ((E)-diazene)

using model chemistry: TPSSh/6-31+G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	2.435	0.452	0.000
y	0.452	3.276	0.000
z	0.000	0.000	1.520

<r²>	16.672
(<r²>)^1/2	4.083

All results from a given calculation for N2H2 ((E)-diazene)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for N₂H₂ ((E)-diazene)