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	hartrees
Energy at 0K	-339.531852
Energy at 298.15K	-339.540902
Nuclear repulsion energy	260.932969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3065	4.00
2	A	3201	3063	1.68
3	A	3154	3018	30.84
4	A	3150	3014	0.09
5	A	3056	2924	41.40
6	A	3050	2918	23.93
7	A	1692	1619	279.43
8	A	1540	1474	56.58
9	A	1520	1454	17.55
10	A	1520	1454	0.05
11	A	1499	1434	11.57
12	A	1496	1431	51.29
13	A	1451	1388	7.40
14	A	1381	1322	269.06
15	A	1346	1288	2.24
16	A	1291	1235	4.29
17	A	1163	1113	42.00
18	A	1135	1086	2.32
19	A	1067	1020	12.74
20	A	1029	985	61.21
21	A	873	835	10.25
22	A	791	756	19.72
23	A	635	608	1.55
24	A	625	598	9.04
25	A	424	406	4.19
26	A	359	344	2.16
27	A	203	194	8.53
28	A	138	132	0.31
29	A	121	116	3.03
30	A	118	113	0.11

Atom	x (Å)	y (Å)	z (Å)
O1	1.352	1.093	0.031
O2	1.352	-1.093	0.031
H3	-1.210	1.534	1.111
H4	-2.271	1.153	-0.275
H5	-0.759	2.054	-0.530
C6	-1.234	1.261	0.048
H7	-1.210	-1.534	1.111
H8	-0.759	-2.053	-0.530
H9	-2.272	-1.152	-0.275
C10	-1.234	-1.261	0.048
N11	0.799	-0.000	-0.028
N12	-0.564	-0.000	-0.212

	O1	O2	H3	H4	H5	C6	H7	H8	H9	C10	N11	N12
O1		2.1862	2.8159	3.6372	2.3861	2.5918	3.8260	3.8305	4.2742	3.4972	1.2266	2.2194
O2	2.1862		3.8260	4.2743	3.8305	3.4972	2.8160	2.3863	3.6374	2.5919	1.2266	2.2195
H3	2.8159	3.8260		1.7871	1.7794	1.0987	3.0687	3.9711	3.2042	2.9909	2.7730	2.1266
H4	3.6372	4.2743	1.7871		1.7791	1.0919	3.2042	3.5541	2.3049	2.6467	3.2891	2.0611
H5	2.3861	3.8305	1.7794	1.7791		1.0896	3.9711	4.1070	3.5541	3.3976	2.6260	2.0871
C6	2.5918	3.4972	1.0987	1.0919	1.0896		2.9909	3.3976	2.6466	2.5217	2.3935	1.4512
H7	3.8260	2.8160	3.0687	3.2042	3.9711	2.9909		1.7794	1.7871	1.0987	2.7730	2.1266
H8	3.8305	2.3863	3.9711	3.5541	4.1070	3.3976	1.7794		1.7791	1.0896	2.6261	2.0871
H9	4.2742	3.6374	3.2042	2.3049	3.5541	2.6466	1.7871	1.7791		1.0919	3.2891	2.0611
C10	3.4972	2.5919	2.9909	2.6467	3.3976	2.5217	1.0987	1.0896	1.0919		2.3935	1.4512
N11	1.2266	1.2266	2.7730	3.2891	2.6260	2.3935	2.7730	2.6261	3.2891	2.3935		1.3754
N12	2.2194	2.2195	2.1266	2.0611	2.0871	1.4512	2.1266	2.0871	2.0611	1.4512	1.3754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	N11	O2	126.049	O1	N11	N12	116.962
O2	N11	N12	116.965	H3	C6	H4	109.331
H3	C6	H5	108.814	H3	C6	N12	112.292
H4	C6	H5	109.280	H4	C6	N12	107.443
H5	C6	N12	109.638	C6	N12	C10	120.650
C6	N12	N11	115.700	H7	C10	H8	108.814
H7	C10	H9	109.331	H7	C10	N12	112.292
H8	C10	H9	109.280	H8	C10	N12	109.638
H9	C10	N12	107.443	C10	N12	N11	115.703

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)

using model chemistry: B3PW91/6-31G*

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	ESP
1	O	-0.431	-0.411
2	O	-0.431	-0.411
3	H	0.193	0.171
4	H	0.188	0.168
5	H	0.229	0.165
6	C	-0.370	-0.415
7	H	0.193	0.171
8	H	0.229	0.165
9	H	0.188	0.168
10	C	-0.370	-0.415
11	N	0.653	0.684
12	N	-0.272	-0.041

	x	y	z	Total
	-4.499	0.000	0.167	4.502
CHELPG
AIM
ESP	-4.536	0.000	0.185	4.540

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	148.328
(<r²>)^1/2	12.179

All results from a given calculation for C2H6N2O2 (Dimethylnitroamine)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₂H₆N₂O₂ (Dimethylnitroamine)