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	hartrees
Energy at 0K	-482.882407
Energy at 298.15K	-482.887128
Nuclear repulsion energy	331.784171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1984	1802	763.71
2	A'	1622	1473	89.48
3	A'	1502	1364	393.73
4	A'	1071	973	58.64
5	A'	981	891	13.56
6	A'	960	872	668.24
7	A'	859	780	52.96
8	A'	702	638	31.14
9	A'	496	450	9.08
10	A'	250	227	3.53
11	A"	2009	1824	814.67
12	A"	879	798	26.63
13	A"	662	601	0.03
14	A"	100	90	0.19
15	A"	24	22	0.58

Atom	x (Å)	y (Å)	z (Å)
O1	-0.802	0.085	0.000
N2	0.070	1.159	0.000
N3	-0.127	-1.158	0.000
O4	-0.499	2.168	0.000
O5	1.210	0.907	0.000
O6	0.070	-1.581	1.062
O7	0.070	-1.581	-1.062

	O1	N2	N3	O4	O5	O6	O7
O1		1.3837	1.4150	2.1047	2.1738	2.1601	2.1601
N2	1.3837		2.3259	1.1585	1.1679	2.9391	2.9391
N3	1.4150	2.3259		3.3470	2.4601	1.1604	1.1604
O4	2.1047	1.1585	3.3470		2.1247	3.9381	3.9381
O5	2.1738	1.1679	2.4601	2.1247		2.9356	2.9356
O6	2.1601	2.9391	1.1604	3.9381	2.9356		2.1249
O7	2.1601	2.9391	1.1604	3.9381	2.9356	2.1249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N2	O4	111.465	O1	N2	O6	43.637
O1	N3	O5	61.433	O1	N3	O7	113.657
N2	O1	N3	112.412	O4	N2	O6	144.281
O5	N3	O7	102.327

All results from a given calculation for N₂O₅ (Dinitrogen pentoxide)

using model chemistry: HF/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	O	-0.238
2	N	0.650
3	N	0.588
4	O	-0.250
5	O	-0.287
6	O	-0.232
7	O	-0.232

	x	y	z	Total
	-0.673	-0.061	0.000	0.676
CHELPG
AIM
ESP

	x	y	z
x	3.749	-0.809	0.000
y	-0.809	5.569	0.000
z	0.000	0.000	4.176

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for N2O5 (Dinitrogen pentoxide)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for N₂O₅ (Dinitrogen pentoxide)