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	hartrees
Energy at 0K	-339.569111
Energy at 298.15K	-339.577998
HF Energy	-339.569111
Nuclear repulsion energy	261.136374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3062	3.78
2	A	3211	3059	1.71
3	A	3169	3018	28.51
4	A	3165	3015	0.36
5	A	3062	2916	41.90
6	A	3057	2912	23.52
7	A	1674	1595	384.06
8	A	1530	1457	107.03
9	A	1507	1436	19.39
10	A	1502	1431	0.35
11	A	1487	1416	29.87
12	A	1481	1411	7.59
13	A	1450	1381	11.22
14	A	1393	1327	306.48
15	A	1352	1288	0.89
16	A	1298	1237	5.22
17	A	1157	1102	46.73
18	A	1127	1074	1.71
19	A	1071	1020	12.50
20	A	1046	996	59.71
21	A	879	837	9.12
22	A	795	757	15.56
23	A	643	612	1.50
24	A	628	598	10.55
25	A	430	410	4.05
26	A	356	340	1.70
27	A	208	199	10.08
28	A	124	119	0.08
29	A	66	63	0.22
30	A	60	57	3.13

Atom	x (Å)	y (Å)	z (Å)
O1	1.342	1.085	0.067
O2	1.342	-1.084	0.067
H3	-1.128	1.501	1.130
H4	-2.279	1.143	-0.188
H5	-0.799	2.065	-0.525
C6	-1.225	1.257	0.065
H7	-1.128	-1.501	1.130
H8	-0.798	-2.065	-0.525
H9	-2.279	-1.143	-0.188
C10	-1.225	-1.257	0.065
N11	0.801	0.000	-0.121
N12	-0.567	0.000	-0.264

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1690	2.7210	3.6310	2.4279	2.5729	3.7300	3.8541	4.2594	3.4745	1.2265	2.2204
O2	2.1690		3.7300	4.2594	3.8541	3.4745	2.7208	2.4277	3.6308	2.5728	1.2265	2.2203
H3	2.7210	3.7300		1.7864	1.7796	1.0968	3.0011	3.9451	3.1706	2.9576	2.7456	2.1236
H4	3.6310	4.2594	1.7864		1.7770	1.0903	3.1706	3.5499	2.2863	2.6337	3.2865	2.0604
H5	2.4279	3.8541	1.7796	1.7770		1.0880	3.9451	4.1308	3.5499	3.4013	2.6434	2.0947
C6	2.5729	3.4745	1.0968	1.0903	1.0880		2.9576	3.4013	2.6337	2.5139	2.3917	1.4565
H7	3.7300	2.7208	3.0011	3.1706	3.9451	2.9576		1.7796	1.7864	1.0968	2.7455	2.1236
H8	3.8541	2.4277	3.9451	3.5499	4.1308	3.4013	1.7796		1.7770	1.0880	2.6433	2.0947
H9	4.2594	3.6308	3.1706	2.2863	3.5499	2.6337	1.7864	1.7770		1.0903	3.2865	2.0604
C10	3.4745	2.5728	2.9576	2.6337	3.4013	2.5139	1.0968	1.0880	1.0903		2.3916	1.4565
N11	1.2265	1.2265	2.7456	3.2865	2.6434	2.3917	2.7455	2.6433	3.2865	2.3916		1.3755
N12	2.2204	2.2203	2.1236	2.0604	2.0947	1.4565	2.1236	2.0947	2.0604	1.4565	1.3755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	124.319	O1	N11	N12	117.042
O2	N11	N12	117.038	H3	C6	H4	109.525
H3	C6	H5	109.080	H3	C6	N12	111.776
H4	C6	H5	109.322	H4	C6	N12	107.124
H5	C6	N12	109.972	C6	N12	C10	119.316
C6	N12	N11	115.212	H7	C10	H8	109.080
H7	C10	H9	109.525	H7	C10	N12	111.776
H8	C10	H9	109.323	H8	C10	N12	109.971
H9	C10	N12	107.124	C10	N12	N11	115.208

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: wB97X-D/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	-0.184
2	O	-0.184
3	H	0.179
4	H	0.159
5	H	0.200
6	C	-0.380
7	H	0.179
8	H	0.200
9	H	0.159
10	C	-0.380
11	N	0.018
12	N	0.034

	x	y	z
x	8.566	0.000	0.076
y	0.000	8.361	0.000
z	0.076	0.000	5.355

<r²>	148.681
(<r²>)^1/2	12.193

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)