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	hartrees
Energy at 0K	-264.565828
Energy at 298.15K	-264.574016
HF Energy	-264.565828
Nuclear repulsion energy	183.226465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3580	33.24
2	A	3691	3531	40.51
3	A	3626	3469	23.38
4	A	3153	3016	17.24
5	A	3077	2944	40.01
6	A	3024	2893	47.97
7	A	1842	1762	514.27
8	A	1646	1575	156.03
9	A	1534	1468	54.78
10	A	1503	1438	73.92
11	A	1496	1431	19.33
12	A	1471	1407	24.17
13	A	1421	1359	117.39
14	A	1221	1168	5.55
15	A	1162	1112	14.59
16	A	1153	1102	17.21
17	A	1094	1047	30.59
18	A	906	867	5.20
19	A	795	760	54.02
20	A	604	578	32.33
21	A	561	537	75.70
22	A	536	512	76.15
23	A	484	463	27.76
24	A	385	368	150.58
25	A	292	279	2.95
26	A	162	155	2.19
27	A	116	111	6.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.867	0.058	0.096
H2	-2.073	0.816	-0.668
H3	-2.692	-0.654	0.065
H4	-1.859	0.545	1.077
H5	-0.631	-1.649	-0.051
N6	-0.634	-0.652	-0.183
C7	0.620	-0.115	-0.020
H8	-0.026	1.790	-0.462
H9	1.607	1.622	-0.051
N10	0.668	1.267	0.047
O11	1.615	-0.805	0.073

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0951	1.0897	1.0953	2.1131	1.4498	2.4962	2.5884	3.8125	2.8098	3.5875
H2	1.0951		1.7552	1.7784	2.9217	2.1115	2.9220	2.2757	3.8167	2.8685	4.0957
H3	1.0897	1.7552		1.7759	2.2912	2.0721	3.3564	3.6544	4.8649	3.8706	4.3089
H4	1.0953	1.7784	1.7759		2.7558	2.1258	2.7900	2.6977	3.8006	2.8234	3.8596
H5	2.1131	2.9217	2.2912	2.7558		1.0063	1.9803	3.5164	3.9634	3.1947	2.4025
N6	1.4498	2.1115	2.0721	2.1258	1.0063		1.3743	2.5319	3.1951	2.3309	2.2688
C7	2.4962	2.9220	3.3564	2.7900	1.9803	1.3743		2.0598	1.9975	1.3846	1.2142
H8	2.5884	2.2757	3.6544	2.6977	3.5164	2.5319	2.0598		1.6923	1.0075	3.1171
H9	3.8125	3.8167	4.8649	3.8006	3.9634	3.1951	1.9975	1.6923		1.0077	2.4303
N10	2.8098	2.8685	3.8706	2.8234	3.1947	2.3309	1.3846	1.0075	1.0077		2.2785
O11	3.5875	4.0957	4.3089	3.8596	2.4025	2.2688	1.2142	3.1171	2.4303	2.2785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.576	C1	N6	C7	124.205
H2	C1	H3	106.905	H2	C1	H4	108.566
H2	C1	N6	111.373	H3	C1	H4	108.735
H3	C1	N6	108.536	H4	C1	N6	112.541
H5	N6	C7	111.648	N6	C7	N10	115.314
N6	C7	O11	122.316	C7	N10	H8	118.013
C7	N10	H9	112.267	H8	N10	H9	114.227
N10	C7	O11	122.366

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

using model chemistry: wB97X-D/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	-0.213
2	H	0.118
3	H	0.132
4	H	0.136
5	H	0.248
6	N	-0.449
7	C	0.456
8	H	0.221
9	H	0.241
10	N	-0.488
11	O	-0.402

	x	y	z	Total
	-3.527	2.014	-0.593	4.105
CHELPG
AIM
ESP

	x	y	z
x	7.103	-0.124	0.114
y	-0.124	6.079	-0.056
z	0.114	-0.056	3.956

<r²>	118.169
(<r²>)^1/2	10.871

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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