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	hartrees
Energy at 0K	-339.600850
Energy at 298.15K	-339.609801
HF Energy	-339.600850
Nuclear repulsion energy	259.501518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3116	3072	4.63
2	A	3113	3070	3.77
3	A	3064	3021	39.10
4	A	3060	3017	0.47
5	A	2963	2922	60.25
6	A	2958	2917	27.12
7	A	1564	1542	280.83
8	A	1488	1467	28.93
9	A	1467	1447	2.36
10	A	1465	1444	10.26
11	A	1446	1426	12.12
12	A	1444	1423	21.53
13	A	1404	1385	8.59
14	A	1277	1259	246.63
15	A	1269	1251	0.21
16	A	1235	1217	13.46
17	A	1125	1109	57.38
18	A	1098	1083	1.77
19	A	1028	1013	10.72
20	A	948	935	95.36
21	A	836	825	12.53
22	A	760	750	13.90
23	A	597	589	9.15
24	A	595	586	2.24
25	A	411	406	2.59
26	A	348	343	1.58
27	A	203	200	9.81
28	A	135	133	2.66
29	A	132	130	0.29
30	A	107	105	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	1.366	1.095	0.033
O2	1.366	-1.095	0.033
H3	-1.249	1.491	1.126
H4	-2.279	1.156	-0.295
H5	-0.764	2.070	-0.486
C6	-1.249	1.257	0.052
H7	-1.249	-1.491	1.126
H8	-0.764	-2.070	-0.486
H9	-2.279	-1.156	-0.295
C10	-1.249	-1.257	0.052
N11	0.814	0.000	-0.028
N12	-0.569	0.000	-0.235

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1910	2.8619	3.6610	2.3998	2.6208	3.8374	3.8508	4.2977	3.5182	1.2284	2.2404
O2	2.1910		3.8374	4.2977	3.8508	3.5182	2.8619	2.3997	3.6610	2.6207	1.2284	2.2404
H3	2.8619	3.8374		1.7866	1.7797	1.0989	2.9827	3.9388	3.1765	2.9509	2.7950	2.1300
H4	3.6610	4.2977	1.7866		1.7794	1.0916	3.1765	3.5692	2.3127	2.6471	3.3132	2.0651
H5	2.3998	3.8508	1.7797	1.7794		1.0884	3.9388	4.1395	3.5692	3.4050	2.6429	2.0940
C6	2.6208	3.5182	1.0989	1.0916	1.0884		2.9509	3.4050	2.6471	2.5146	2.4176	1.4578
H7	3.8374	2.8619	2.9827	3.1765	3.9388	2.9509		1.7797	1.7866	1.0989	2.7950	2.1300
H8	3.8508	2.3997	3.9388	3.5692	4.1395	3.4050	1.7797		1.7794	1.0884	2.6428	2.0940
H9	4.2977	3.6610	3.1765	2.3127	3.5692	2.6471	1.7866	1.7794		1.0916	3.3132	2.0651
C10	3.5182	2.6207	2.9509	2.6471	3.4050	2.5146	1.0989	1.0884	1.0916		2.4176	1.4579
N11	1.2284	1.2284	2.7950	3.3132	2.6429	2.4176	2.7950	2.6428	3.3132	2.4176		1.3988
N12	2.2404	2.2404	2.1300	2.0651	2.0940	1.4578	2.1300	2.0940	2.0651	1.4579	1.3988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	124.738	O1	N11	N12	116.929
O2	N11	N12	116.925	H3	C6	H4	109.367
H3	C6	H5	108.891	H3	C6	N12	111.947
H4	C6	H5	109.383	H4	C6	N12	107.373
H5	C6	N12	109.843	C6	N12	C10	119.039
C6	N12	N11	115.670	H7	C10	H8	108.891
H7	C10	H9	109.367	H7	C10	N12	111.947
H8	C10	H9	109.384	H8	C10	N12	109.843
H9	C10	N12	107.373	C10	N12	N11	115.666

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B97D3/cc-pVTZ

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	-0.294
2	O	-0.294
3	H	0.083
4	H	0.084
5	H	0.118
6	C	-0.150
7	H	0.083
8	H	0.118
9	H	0.084
10	C	-0.150
11	N	0.378
12	N	-0.063

	x	y	z	Total
	-4.330	0.000	0.123	4.332
CHELPG
AIM
ESP

	x	y	z
x	8.867	0.000	0.012
y	0.000	8.635	0.000
z	0.012	0.000	5.321

<r²>	150.113
(<r²>)^1/2	12.252

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)