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	hartrees
Energy at 0K	-264.525723
Energy at 298.15K	-264.533898
Nuclear repulsion energy	183.526387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3726	3572	23.45
2	A	3679	3527	30.98
3	A	3609	3460	15.12
4	A	3151	3021	19.82
5	A	3074	2947	44.57
6	A	3023	2898	54.44
7	A	1835	1759	497.34
8	A	1679	1609	143.01
9	A	1541	1477	45.28
10	A	1507	1445	12.14
11	A	1501	1439	76.95
12	A	1471	1410	24.64
13	A	1419	1360	128.47
14	A	1219	1168	4.77
15	A	1162	1114	20.94
16	A	1153	1105	12.72
17	A	1092	1047	32.22
18	A	903	866	4.65
19	A	788	755	58.90
20	A	602	577	36.57
21	A	559	536	138.06
22	A	539	516	29.83
23	A	491	471	29.63
24	A	393	377	148.16
25	A	287	275	2.56
26	A	172	165	2.60
27	A	108	103	7.32

Atom	x (Å)	y (Å)	z (Å)
C1	-1.861	0.044	0.078
H2	-2.089	0.736	-0.739
H3	-2.676	-0.675	0.118
H4	-1.853	0.607	1.016
H5	-0.615	-1.662	-0.046
N6	-0.624	-0.663	-0.148
C7	0.625	-0.112	-0.019
H8	-0.090	1.787	-0.413
H9	1.561	1.654	-0.063
N10	0.639	1.268	0.048
O11	1.633	-0.784	0.059

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0951	1.0882	1.0941	2.1159	1.4423	2.4926	2.5322	3.7843	2.7837	3.5906
H2	1.0951		1.7525	1.7757	2.8988	2.1100	2.9331	2.2811	3.8237	2.8885	4.0990
H3	1.0882	1.7525		1.7689	2.2911	2.0698	3.3522	3.6097	4.8390	3.8439	4.3113
H4	1.0941	1.7757	1.7689		2.7947	2.1166	2.7805	2.5575	3.7309	2.7545	3.8737
H5	2.1159	2.8988	2.2911	2.7947		1.0047	1.9860	3.5079	3.9669	3.1893	2.4163
N6	1.4423	2.1100	2.0698	2.1166	1.0047		1.3714	2.5208	3.1859	2.3158	2.2698
C7	2.4926	2.9331	3.3522	2.7805	1.9860	1.3714		2.0667	1.9991	1.3818	1.2141
H8	2.5322	2.2811	3.6097	2.5575	3.5079	2.5208	2.0667		1.6933	1.0063	3.1309
H9	3.7843	3.8237	4.8390	3.7309	3.9669	3.1859	1.9991	1.6933		1.0056	2.4424
N10	2.7837	2.8885	3.8439	2.7545	3.1893	2.3158	1.3818	1.0063	1.0056		2.2806
O11	3.5906	4.0990	4.3113	3.8737	2.4163	2.2698	1.2141	3.1309	2.4424	2.2806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	118.597	C1	N6	C7	124.701
H2	C1	H3	106.773	H2	C1	H4	108.417
H2	C1	N6	111.786	H3	C1	H4	108.304
H3	C1	N6	108.951	H4	C1	N6	112.400
H5	N6	C7	112.491	N6	C7	N10	114.523
N6	C7	O11	122.661	C7	N10	H8	119.020
C7	N10	H9	112.770	H8	N10	H9	114.625
N10	C7	O11	122.798

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

using model chemistry: B1B95/6-311G*

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	-0.541
2	H	0.222
3	H	0.233
4	H	0.239
5	H	0.354
6	N	-0.585
7	C	0.574
8	H	0.342
9	H	0.356
10	N	-0.792
11	O	-0.402

	x	y	z	Total
	-3.463	1.915	-0.648	4.010
CHELPG
AIM
ESP

	x	y	z
x	7.122	-0.122	0.127
y	-0.122	6.081	-0.060
z	0.127	-0.060	3.874

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-311G*

States and conformations

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