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	hartrees
Energy at 0K	-264.406652
Energy at 298.15K	-264.414547
Nuclear repulsion energy	179.421919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3636	24.40
2	A	3563	3536	24.45
3	A	3524	3498	15.27
4	A	3068	3044	18.97
5	A	2971	2948	60.98
6	A	2929	2907	59.91
7	A	1676	1663	307.76
8	A	1616	1603	136.13
9	A	1527	1515	30.05
10	A	1494	1482	6.43
11	A	1480	1469	57.83
12	A	1422	1411	10.66
13	A	1383	1373	222.35
14	A	1169	1160	2.53
15	A	1139	1131	0.50
16	A	1099	1090	29.96
17	A	1041	1033	22.54
18	A	858	851	3.73
19	A	727	721	89.98
20	A	554	550	7.35
21	A	544	540	152.78
22	A	511	507	9.74
23	A	466	462	3.07
24	A	358	356	247.87
25	A	278	276	4.38
26	A	131	130	3.37
27	A	99	99	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	-1.920	0.039	0.001
H2	-2.045	0.673	-0.898
H3	-2.737	-0.697	0.004
H4	-2.040	0.676	0.899
H5	-0.630	-1.692	-0.002
N6	-0.638	-0.677	-0.001
C7	0.635	-0.104	-0.000
H8	-0.150	1.884	-0.005
H9	1.589	1.719	0.001
N10	0.671	1.289	0.000
O11	1.686	-0.808	0.001

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1074	1.0996	1.1073	2.1592	1.4690	2.5591	2.5573	3.8908	2.8774	3.7050
H2	1.1074		1.7810	1.7972	2.8983	2.1464	2.9309	2.4196	3.8867	2.9263	4.1140
H3	1.0996	1.7810		1.7811	2.3301	2.0998	3.4238	3.6549	4.9552	3.9450	4.4251
H4	1.1073	1.7972	1.7811		2.8993	2.1459	2.9271	2.4186	3.8810	2.9212	4.1100
H5	2.1592	2.8983	2.3301	2.8993		1.0159	2.0309	3.6087	4.0699	3.2533	2.4799
N6	1.4690	2.1464	2.0998	2.1459	1.0159		1.3953	2.6068	3.2705	2.3615	2.3277
C7	2.5591	2.9309	3.4238	2.9271	2.0309	1.3953		2.1370	2.0575	1.3933	1.2658
H8	2.5573	2.4196	3.6549	2.4186	3.6087	2.6068	2.1370		1.7465	1.0140	3.2588
H9	3.8908	3.8867	4.9552	3.8810	4.0699	3.2705	2.0575	1.7465		1.0134	2.5291
N10	2.8774	2.9263	3.9450	2.9212	3.2533	2.3615	1.3933	1.0140	1.0134		2.3300
O11	3.7050	4.1140	4.4251	4.1100	2.4799	2.3277	1.2658	3.2588	2.5291	2.3300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	119.554	C1	N6	C7	126.608
H2	C1	H3	107.603	H2	C1	H4	108.485
H2	C1	N6	112.079	H3	C1	H4	107.618
H3	C1	N6	108.819	H4	C1	N6	112.046
H5	N6	C7	113.838	N6	C7	N10	115.745
N6	C7	O11	121.947	C7	N10	H8	124.429
C7	N10	H9	116.609	H8	N10	H9	118.961
N10	C7	O11	122.308

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

using model chemistry: BLYP/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
1	C	-0.225
2	H	0.139
3	H	0.144
4	H	0.139
5	H	0.305
6	N	-0.557
7	C	0.578
8	H	0.292
9	H	0.312
10	N	-0.677
11	O	-0.449

	x	y	z	Total
	-3.895	2.311	-0.008	4.528
CHELPG
AIM
ESP

<r²>	123.123
(<r²>)^1/2	11.096

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

using model chemistry: BLYP/6-31G

States and conformations

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