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	hartrees
Energy at 0K	-263.011120
Energy at 298.15K	-263.019555
HF Energy	-263.011120
Nuclear repulsion energy	184.362294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3939	3539	42.35
2	A	3880	3487	47.58
3	A	3826	3437	37.93
4	A	3309	2973	29.06
5	A	3257	2927	53.38
6	A	3206	2880	48.04
7	A	1978	1777	622.27
8	A	1809	1626	154.35
9	A	1670	1501	27.84
10	A	1643	1476	12.71
11	A	1636	1470	43.87
12	A	1614	1450	49.00
13	A	1543	1386	213.45
14	A	1318	1185	1.73
15	A	1261	1133	11.67
16	A	1244	1118	44.07
17	A	1187	1066	30.93
18	A	962	864	5.97
19	A	877	788	125.63
20	A	658	591	48.83
21	A	608	546	163.99
22	A	590	530	30.71
23	A	530	476	52.93
24	A	424	381	146.95
25	A	306	275	2.78
26	A	178	160	3.02
27	A	108	97	6.82

Atom	x (Å)	y (Å)	z (Å)
C1	-1.868	0.064	0.091
H2	-2.064	0.819	-0.664
H3	-2.679	-0.649	0.047
H4	-1.878	0.539	1.067
H5	-0.636	-1.628	-0.068
N6	-0.632	-0.639	-0.173
C7	0.619	-0.116	-0.020
H8	-0.009	1.795	-0.423
H9	1.613	1.604	-0.043
N10	0.685	1.253	0.041
O11	1.596	-0.809	0.072

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0853	1.0811	1.0854	2.0996	1.4464	2.4959	2.5916	3.8088	2.8165	3.5726
H2	1.0853		1.7433	1.7633	2.8958	2.1021	2.9135	2.2879	3.8110	2.8708	4.0730
H3	1.0811	1.7433		1.7585	2.2689	2.0591	3.3417	3.6505	4.8487	3.8647	4.2786
H4	1.0854	1.7633	1.7585		2.7437	2.1161	2.8010	2.7010	3.8155	2.8518	3.8573
H5	2.0996	2.8958	2.2689	2.7437		0.9949	1.9659	3.4985	3.9381	3.1720	2.3821
N6	1.4464	2.1021	2.0591	2.1161	0.9949		1.3645	2.5251	3.1764	2.3155	2.2480
C7	2.4959	2.9135	3.3417	2.8010	1.9659	1.3645		2.0515	1.9869	1.3724	1.2014
H8	2.5916	2.2879	3.6505	2.7010	3.4985	2.5251	2.0515		1.6768	0.9949	3.0984
H9	3.8088	3.8110	4.8487	3.8155	3.9381	3.1764	1.9869	1.6768		0.9960	2.4157
N10	2.8165	2.8708	3.8647	2.8518	3.1720	2.3155	1.3724	0.9949	0.9960		2.2549
O11	3.5726	4.0730	4.2786	3.8573	2.3821	2.2480	1.2014	3.0984	2.4157	2.2549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.446	C1	N6	C7	125.199
H2	C1	H3	107.158	H2	C1	H4	108.639
H2	C1	N6	111.466	H3	C1	H4	108.519
H3	C1	N6	108.246	H4	C1	N6	112.627
H5	N6	C7	111.911	N6	C7	N10	115.563
N6	C7	O11	122.219	C7	N10	H8	119.275
C7	N10	H9	113.094	H8	N10	H9	114.748
N10	C7	O11	122.212

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

using model chemistry: HF/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	-0.289
2	H	0.165
3	H	0.188
4	H	0.184
5	H	0.393
6	N	-0.788
7	C	0.922
8	H	0.377
9	H	0.392
10	N	-0.915
11	O	-0.630

	x	y	z	Total
	-3.595	2.190	-0.655	4.260
CHELPG	-3.647	2.213	-0.725	4.327
AIM
ESP	-3.662	2.207	-0.742	4.340

	x	y	z
x	6.069	-0.180	0.163
y	-0.180	5.295	-0.077
z	0.163	-0.077	3.311

<r²>	117.395
(<r²>)^1/2	10.835

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

using model chemistry: HF/6-31G*

States and conformations

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