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	hartrees
Energy at 0K	-264.592860
Energy at 298.15K	-264.600988
HF Energy	-264.592860
Nuclear repulsion energy	183.510451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3577	36.67
2	A	3691	3529	42.17
3	A	3624	3464	23.55
4	A	3156	3017	13.89
5	A	3080	2944	33.70
6	A	3029	2896	46.44
7	A	1820	1740	522.74
8	A	1638	1566	146.93
9	A	1535	1467	50.83
10	A	1504	1438	61.59
11	A	1499	1433	22.61
12	A	1466	1402	25.78
13	A	1422	1359	119.63
14	A	1222	1169	5.14
15	A	1165	1114	6.61
16	A	1151	1100	24.44
17	A	1092	1044	28.54
18	A	905	865	5.54
19	A	790	756	39.18
20	A	597	571	21.90
21	A	558	533	60.74
22	A	525	502	77.64
23	A	470	450	20.48
24	A	373	357	149.98
25	A	290	277	3.57
26	A	155	148	1.86
27	A	107	103	5.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.865	0.058	0.093
H2	-2.068	0.810	-0.673
H3	-2.686	-0.653	0.066
H4	-1.857	0.549	1.069
H5	-0.631	-1.647	-0.043
N6	-0.633	-0.652	-0.179
C7	0.618	-0.114	-0.018
H8	-0.032	1.787	-0.451
H9	1.604	1.620	-0.062
N10	0.668	1.266	0.048
O11	1.613	-0.804	0.071

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0923	1.0870	1.0923	2.1091	1.4471	2.4912	2.5776	3.8066	2.8065	3.5829
H2	1.0923		1.7517	1.7738	2.9156	2.1073	2.9155	2.2699	3.8096	2.8668	4.0880
H3	1.0870	1.7517		1.7711	2.2857	2.0675	3.3491	3.6425	4.8562	3.8647	4.3018
H4	1.0923	1.7738	1.7711		2.7496	2.1201	2.7835	2.6788	3.7950	2.8167	3.8559
H5	2.1091	2.9156	2.2857	2.7496		1.0044	1.9774	3.5094	3.9574	3.1907	2.3993
N6	1.4471	2.1073	2.0675	2.1201	1.0044		1.3714	2.5264	3.1899	2.3288	2.2651
C7	2.4912	2.9155	3.3491	2.7835	1.9774	1.3714		2.0548	1.9944	1.3824	1.2141
H8	2.5776	2.2699	3.6425	2.6788	3.5094	2.5264	2.0548		1.6892	1.0054	3.1129
H9	3.8066	3.8096	4.8562	3.7950	3.9574	3.1899	1.9944	1.6892		1.0059	2.4273
N10	2.8065	2.8668	3.8647	2.8167	3.1907	2.3288	1.3824	1.0054	1.0059		2.2756
O11	3.5829	4.0880	4.3018	3.8559	2.3993	2.2651	1.2141	3.1129	2.4273	2.2756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.575	C1	N6	C7	124.203
H2	C1	H3	106.982	H2	C1	H4	108.580
H2	C1	N6	111.407	H3	C1	H4	108.719
H3	C1	N6	108.509	H4	C1	N6	112.465
H5	N6	C7	111.736	N6	C7	N10	115.479
N6	C7	O11	122.228	C7	N10	H8	117.893
C7	N10	H9	112.284	H8	N10	H9	114.247
N10	C7	O11	122.290

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

using model chemistry: wB97X-D/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	C	-0.163
2	H	0.073
3	H	0.090
4	H	0.091
5	H	0.149
6	N	-0.150
7	C	0.221
8	H	0.149
9	H	0.160
10	N	-0.247
11	O	-0.372

	x	y	z	Total
	-3.634	2.042	-0.576	4.208
CHELPG
AIM
ESP

	x	y	z
x	7.673	-0.139	0.069
y	-0.139	6.568	-0.036
z	0.069	-0.036	4.491

<r²>	118.045
(<r²>)^1/2	10.865

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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