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	hartrees
Energy at 0K	-263.281669
Energy at 298.15K	-263.289500
Nuclear repulsion energy	183.853828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3631	3586	51.06
2	A	3580	3536	55.08
3	A	3503	3460	19.85
4	A	3067	3029	6.39
5	A	2966	2930	27.46
6	A	2911	2875	52.16
7	A	1804	1782	447.43
8	A	1550	1531	249.05
9	A	1469	1451	124.88
10	A	1443	1425	9.27
11	A	1411	1394	14.36
12	A	1393	1376	3.34
13	A	1354	1337	24.26
14	A	1189	1175	9.44
15	A	1106	1093	6.18
16	A	1100	1087	14.05
17	A	1039	1026	17.26
18	A	896	885	6.13
19	A	762	753	34.44
20	A	575	568	10.26
21	A	532	525	56.01
22	A	503	497	49.46
23	A	412	407	15.66
24	A	345	341	187.32
25	A	282	279	7.66
26	A	131	129	3.82
27	A	74	73	6.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.847	0.028	0.039
H2	-2.074	0.631	-0.863
H3	-2.674	-0.686	0.158
H4	-1.859	0.701	0.916
H5	-0.589	-1.694	-0.047
N6	-0.612	-0.679	-0.069
C7	0.625	-0.106	-0.009
H8	-0.190	1.789	-0.308
H9	1.523	1.689	-0.069
N10	0.607	1.266	0.046
O11	1.654	-0.759	0.025

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.1085	1.0983	1.1059	2.1344	1.4276	2.4764	2.4431	3.7590	2.7489	3.5883
H2	1.1085		1.7709	1.7933	2.8774	2.1183	2.9253	2.2800	3.8324	2.9013	4.0763
H3	1.0983	1.7709		1.7784	2.3250	2.0743	3.3535	3.5370	4.8274	3.8190	4.3302
H4	1.1059	1.7933	1.7784		2.8768	2.1046	2.7703	2.3378	3.6579	2.6747	3.9066
H5	2.1344	2.8774	2.3250	2.8768		1.0152	1.9994	3.5155	3.9884	3.1937	2.4310
N6	1.4276	2.1183	2.0743	2.1046	1.0152		1.3647	2.5156	3.1887	2.2985	2.2689
C7	2.4764	2.9253	3.3535	2.7703	1.9994	1.3647		2.0840	2.0080	1.3728	1.2189
H8	2.4431	2.2800	3.5370	2.3378	3.5155	2.5156	2.0840		1.7321	1.0169	3.1622
H9	3.7590	3.8324	4.8274	3.6579	3.9884	3.1887	2.0080	1.7321		1.0156	2.4532
N10	2.7489	2.9013	3.8190	2.6747	3.1937	2.2985	1.3728	1.0169	1.0156		2.2791
O11	3.5883	4.0763	4.3302	3.9066	2.4310	2.2689	1.2189	3.1622	2.4532	2.2791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	120.872	C1	N6	C7	124.947
H2	C1	H3	106.729	H2	C1	H4	108.162
H2	C1	N6	112.675	H3	C1	H4	107.579
H3	C1	N6	109.728	H4	C1	N6	111.720
H5	N6	C7	113.496	N6	C7	N10	114.197
N6	C7	O11	122.756	C7	N10	H8	120.672
C7	N10	H9	113.595	H8	N10	H9	116.908
N10	C7	O11	123.024

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

using model chemistry: LSDA/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	-0.346
2	H	0.157
3	H	0.166
4	H	0.169
5	H	0.258
6	N	-0.425
7	C	0.394
8	H	0.230
9	H	0.250
10	N	-0.495
11	O	-0.358

	x	y	z	Total
	-3.635	1.912	-0.593	4.150
CHELPG
AIM
ESP

	x	y	z
x	7.651	-0.090	0.086
y	-0.090	6.500	-0.059
z	0.086	-0.059	4.079

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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