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	hartrees
Energy at 0K	-338.242556
Energy at 298.15K	-338.251133
HF Energy	-337.526855
Nuclear repulsion energy	248.474266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3219	3101	0.00
2	A_g	3060	2947	0.00
3	A_g	1540	1483	0.00
4	A_g	1476	1421	0.00
5	A_g	1458	1405	0.00
6	A_g	1214	1169	0.00
7	A_g	1062	1023	0.00
8	A_g	610	588	0.00
9	A_g	549	529	0.00
10	A_g	367	353	0.00
11	A_u	3171	3054	26.42
12	A_u	1508	1453	29.94
13	A_u	1152	1110	0.18
14	A_u	270	260	0.60
15	A_u	169	163	10.74
16	A_u	112	108	9.98
17	B_g	3171	3054	0.00
18	B_g	1507	1452	0.00
19	B_g	1132	1091	0.00
20	B_g	407	392	0.00
21	B_g	151	145	0.00
22	B_u	3220	3101	0.93
23	B_u	3060	2947	15.53
24	B_u	1641	1580	149.23
25	B_u	1523	1467	26.41
26	B_u	1475	1420	12.75
27	B_u	1215	1170	21.75
28	B_u	951	916	9.55
29	B_u	523	504	53.64
30	B_u	265	255	29.29

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.718	0.000
N2	0.000	-0.718	0.000
O3	-1.135	1.388	0.000
O4	1.135	-1.388	0.000
C5	1.355	1.358	0.000
C6	-1.355	-1.358	0.000
H7	1.166	2.439	0.000
H8	1.907	1.037	0.896
H9	1.907	1.037	-0.896
H10	-1.166	-2.439	0.000
H11	-1.907	-1.037	0.896
H12	-1.907	-1.037	-0.896

	N1	N2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
N1		1.4354	1.3178	2.3919	1.4989	2.4792	2.0787	2.1314	2.1314	3.3648	2.7424	2.7424
N2	1.4354		2.3919	1.3178	2.4792	1.4989	3.3648	2.7424	2.7424	2.0787	2.1314	2.1314
O3	1.3178	2.3919		3.5855	2.4899	2.7552	2.5292	3.1905	3.1905	3.8266	2.6985	2.6985
O4	2.3919	1.3178	3.5855		2.7552	2.4899	3.8266	2.6985	2.6985	2.5292	3.1905	3.1905
C5	1.4989	2.4792	2.4899	2.7552		3.8374	1.0965	1.1004	1.1004	4.5577	4.1456	4.1456
C6	2.4792	1.4989	2.7552	2.4899	3.8374		4.5577	4.1456	4.1456	1.0965	1.1004	1.1004
H7	2.0787	3.3648	2.5292	3.8266	1.0965	4.5577		1.8209	1.8209	5.4060	4.7255	4.7255
H8	2.1314	2.7424	3.1905	2.6985	1.1004	4.1456	1.8209		1.7918	4.7255	4.3424	4.6976
H9	2.1314	2.7424	3.1905	2.6985	1.1004	4.1456	1.8209	1.7918		4.7255	4.6976	4.3424
H10	3.3648	2.0787	3.8266	2.5292	4.5577	1.0965	5.4060	4.7255	4.7255		1.8209	1.8209
H11	2.7424	2.1314	2.6985	3.1905	4.1456	1.1004	4.7255	4.3424	4.6976	1.8209		1.7918
H12	2.7424	2.1314	2.6985	3.1905	4.1456	1.1004	4.7255	4.6976	4.3424	1.8209	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O4	120.569	N1	N2	C6	115.308
N1	C5	H7	105.381	N1	C5	H8	109.211
N1	C5	H9	109.211	N2	N1	O3	120.569
N2	N1	C5	115.308	N2	C6	H10	105.381
N2	C6	H11	109.211	N2	C6	H12	109.211
O3	N1	C5	124.123	O4	N2	C6	124.123
H7	C5	H8	111.961	H7	C5	H9	111.961
H8	C5	H9	109.011	H10	C6	H11	111.961
H10	C6	H12	111.961	H11	C6	H12	109.011

All results from a given calculation for C₂H₆N₂O₂ ((E)-Azodioxymethane)

using model chemistry: MP2/LANL2DZ

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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All results from a given calculation for C2H6N2O2 ((E)-Azodioxymethane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ ((E)-Azodioxymethane)