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	hartrees
Energy at 0K	-264.493393
Energy at 298.15K	-264.501447
HF Energy	-264.493393
Nuclear repulsion energy	181.862617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3576	21.01
2	A	3582	3531	25.45
3	A	3509	3459	8.13
4	A	3070	3027	23.91
5	A	2991	2949	52.69
6	A	2947	2905	60.42
7	A	1756	1731	412.69
8	A	1603	1580	113.15
9	A	1494	1472	30.23
10	A	1461	1441	8.37
11	A	1455	1435	43.88
12	A	1421	1401	12.00
13	A	1364	1345	175.35
14	A	1173	1156	0.86
15	A	1126	1110	10.03
16	A	1111	1095	31.62
17	A	1050	1035	36.98
18	A	863	851	3.54
19	A	753	742	47.35
20	A	593	585	43.81
21	A	554	546	132.35
22	A	528	521	22.04
23	A	482	475	38.15
24	A	383	378	102.02
25	A	276	272	3.35
26	A	150	148	3.45
27	A	105	103	4.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.882	0.049	0.090
H2	-2.083	0.808	-0.681
H3	-2.706	-0.669	0.053
H4	-1.890	0.544	1.073
H5	-0.629	-1.658	-0.038
N6	-0.636	-0.657	-0.174
C7	0.630	-0.114	-0.022
H8	-0.054	1.804	-0.436
H9	1.597	1.644	-0.073
N10	0.662	1.280	0.050
O11	1.636	-0.805	0.069

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1001	1.0940	1.1004	2.1217	1.4571	2.5197	2.5878	3.8310	2.8265	3.6208
H2	1.1001		1.7632	1.7845	2.9339	2.1210	2.9399	2.2735	3.8228	2.8799	4.1228
H3	1.0940	1.7632		1.7826	2.3021	2.0831	3.3828	3.6591	4.8876	3.8916	4.3447
H4	1.1004	1.7845	1.7826		2.7699	2.1382	2.8253	2.6902	3.8325	2.8467	3.9071
H5	2.1217	2.9339	2.3021	2.7699		1.0101	1.9928	3.5319	3.9831	3.2105	2.4233
N6	1.4571	2.1210	2.0831	2.1382	1.0101		1.3856	2.5424	3.2083	2.3424	2.2897
C7	2.5197	2.9399	3.3828	2.8253	1.9928	1.3856		2.0774	2.0073	1.3957	1.2246
H8	2.5878	2.2735	3.6591	2.6902	3.5319	2.5424	2.0774		1.6981	1.0119	3.1494
H9	3.8310	3.8228	4.8876	3.8325	3.9831	3.2083	2.0073	1.6981		1.0111	2.4539
N10	2.8265	2.8799	3.8916	2.8467	3.2105	2.3424	1.3957	1.0119	1.0111		2.3014
O11	3.6208	4.1228	4.3447	3.9071	2.4233	2.2897	1.2246	3.1494	2.4539	2.3014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.263	C1	N6	C7	124.756
H2	C1	H3	106.844	H2	C1	H4	108.350
H2	C1	N6	111.380	H3	C1	H4	108.651
H3	C1	N6	108.732	H4	C1	N6	112.686
H5	N6	C7	111.399	N6	C7	N10	115.196
N6	C7	O11	122.328	C7	N10	H8	118.209
C7	N10	H9	111.980	H8	N10	H9	113.872
N10	C7	O11	122.469

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)

using model chemistry: B97D3/6-311G**

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	C	-0.189
2	H	0.108
3	H	0.121
4	H	0.124
5	H	0.231
6	N	-0.410
7	C	0.417
8	H	0.208
9	H	0.225
10	N	-0.451
11	O	-0.384

	x	y	z	Total
	-3.322	1.902	-0.598	3.874
CHELPG
AIM
ESP

	x	y	z
x	7.666	-0.072	0.113
y	-0.072	6.525	-0.077
z	0.113	-0.077	4.091

<r²>	119.681
(<r²>)^1/2	10.940

All results from a given calculation for C2H6N2O (Urea, methyl-)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for C₂H₆N₂O (Urea, methyl-)