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	hartrees
Energy at 0K	-410.342226
Energy at 298.15K
HF Energy	-410.342226
Nuclear repulsion energy	234.848052

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_g	1435	1383	0.00	17.77	0.42	0.60
2	A_g	844	813	0.00	15.23	0.11	0.19
3	A_g	283	273	0.00	37.36	0.31	0.47
4	A_u	86	83	0.00	0.00	0.00	0.00
5	B_1u	1284	1238	507.93	0.00	0.00	0.00
6	B_1u	752	725	285.11	0.00	0.00	0.00
7	B_2g	646	622	0.00	0.59	0.75	0.86
8	B_2u	1799	1734	680.77	0.00	0.00	0.00
9	B_2u	206	198	0.13	0.00	0.00	0.00
10	B_3g	1769	1705	0.00	13.27	0.75	0.86
11	B_3g	477	459	0.00	10.68	0.75	0.86
12	B_3u	416	401	11.15	0.00	0.00	0.00

Atom	y (Å)	z (Å)
N1	0.000	0.918
N2	0.000	-0.918
O3	1.099	1.377
O4	-1.099	1.377
O5	1.099	-1.377
O6	-1.099	-1.377

	N1	N2	O3	O4	O5	O6
N1		1.8352	1.1913	1.1913	2.5443	2.5443
N2	1.8352		2.5443	2.5443	1.1913	1.1913
O3	1.1913	2.5443		2.1982	2.7542	3.5239
O4	1.1913	2.5443	2.1982		3.5239	2.7542
O5	2.5443	1.1913	2.7542	3.5239		2.1982
O6	2.5443	1.1913	3.5239	2.7542	2.1982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O5	112.690	N1	N2	O6	112.690
N2	N1	O3	112.690	N2	N1	O4	112.690
O3	N1	O4	134.620	O5	N2	O6	134.620

All results from a given calculation for N₂O₄ (Dinitrogen tetroxide)

using model chemistry: TPSSh/TZVP

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	N	0.152
2	N	0.152
3	O	-0.076
4	O	-0.076
5	O	-0.076
6	O	-0.076

<r²>	131.860
(<r²>)^1/2	11.483

All results from a given calculation for N2O4 (Dinitrogen tetroxide)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for N₂O₄ (Dinitrogen tetroxide)