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	hartrees
Energy at 0K	-339.647770
Energy at 298.15K	-339.656843
Nuclear repulsion energy	262.954532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3054	4.21
2	A	3186	3050	2.32
3	A	3147	3012	27.72
4	A	3143	3008	0.10
5	A	3051	2920	38.70
6	A	3046	2915	22.66
7	A	1670	1598	346.14
8	A	1521	1456	60.58
9	A	1502	1437	0.55
10	A	1501	1437	38.17
11	A	1474	1411	6.89
12	A	1472	1409	54.28
13	A	1430	1368	8.35
14	A	1375	1316	268.69
15	A	1350	1292	1.19
16	A	1285	1230	10.04
17	A	1154	1105	45.11
18	A	1128	1080	1.72
19	A	1059	1014	13.52
20	A	1034	989	54.25
21	A	882	844	8.69
22	A	813	778	17.02
23	A	636	608	1.35
24	A	630	603	10.06
25	A	407	389	3.98
26	A	343	328	1.98
27	A	194	186	6.15
28	A	135	129	0.33
29	A	131	125	0.01
30	A	119	114	4.05

Atom	x (Å)	y (Å)	z (Å)
O1	1.340	1.083	0.030
O2	1.340	-1.083	0.030
H3	-1.163	1.557	1.093
H4	-2.264	1.134	-0.235
H5	-0.777	2.035	-0.563
C6	-1.223	1.257	0.045
H7	-1.163	-1.557	1.093
H8	-0.777	-2.035	-0.563
H9	-2.264	-1.134	-0.235
C10	-1.223	-1.257	0.045
N11	0.793	-0.000	-0.028
N12	-0.558	0.000	-0.200

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1658	2.7611	3.6144	2.3961	2.5697	3.7907	3.8151	4.2396	3.4713	1.2148	2.1976
O2	2.1658		3.7907	4.2396	3.8151	3.4713	2.7611	2.3960	3.6144	2.5697	1.2148	2.1976
H3	2.7611	3.7907		1.7760	1.7659	1.0914	3.1146	3.9742	3.1963	3.0040	2.7399	2.1126
H4	3.6144	4.2396	1.7760		1.7693	1.0847	3.1962	3.5154	2.2673	2.6227	3.2667	2.0485
H5	2.3961	3.8151	1.7659	1.7693		1.0832	3.9742	4.0698	3.5154	3.3776	2.6251	2.0785
C6	2.5697	3.4713	1.0914	1.0847	1.0832		3.0039	3.3776	2.6227	2.5148	2.3772	1.4435
H7	3.7907	2.7611	3.1146	3.1962	3.9742	3.0039		1.7659	1.7760	1.0914	2.7400	2.1126
H8	3.8151	2.3960	3.9742	3.5154	4.0698	3.3776	1.7659		1.7693	1.0832	2.6251	2.0785
H9	4.2396	3.6144	3.1963	2.2673	3.5154	2.6227	1.7760	1.7693		1.0847	3.2667	2.0485
C10	3.4713	2.5697	3.0040	2.6227	3.3776	2.5148	1.0914	1.0832	1.0847		2.3772	1.4435
N11	1.2148	1.2148	2.7399	3.2667	2.6251	2.3772	2.7400	2.6251	3.2667	2.3772		1.3617
N12	2.1976	2.1976	2.1126	2.0485	2.0785	1.4435	2.1126	2.0785	2.0485	1.4435	1.3617

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.091	O1	N11	N12	116.947
O2	N11	N12	116.948	H3	C6	H4	109.399
H3	C6	H5	108.594	H3	C6	N12	112.149
H4	C6	H5	109.399	H4	C6	N12	107.390
H5	C6	N12	109.877	C6	N12	C10	121.163
C6	N12	N11	115.830	H7	C10	H8	108.594
H7	C10	H9	109.399	H7	C10	N12	112.149
H8	C10	H9	109.399	H8	C10	N12	109.876
H9	C10	N12	107.391	C10	N12	N11	115.831

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B1B95/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	-0.309
2	O	-0.309
3	H	0.124
4	H	0.107
5	H	0.148
6	C	-0.240
7	H	0.124
8	H	0.148
9	H	0.107
10	C	-0.240
11	N	0.411
12	N	-0.071

	x	y	z	Total
	-4.538	0.000	0.096	4.539
CHELPG
AIM
ESP

	x	y	z
x	8.273	0.000	0.019
y	0.000	8.285	0.000
z	0.019	0.000	5.130

<r²>	146.722
(<r²>)^1/2	12.113

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B1B95/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)