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	hartrees
Energy at 0K	-264.434648
Energy at 298.15K	-264.427606
HF Energy	-264.594214
Nuclear repulsion energy	182.678591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3696	3567	27.42
2	A	3655	3527	35.38
3	A	3581	3455	18.05
4	A	3126	3016	14.88
5	A	3050	2943	36.94
6	A	3005	2899	47.31
7	A	1813	1749	411.50
8	A	1626	1569	115.13
9	A	1523	1470	29.69
10	A	1492	1439	33.79
11	A	1485	1433	33.02
12	A	1446	1395	17.41
13	A	1403	1353	151.84
14	A	1207	1165	2.60
15	A	1158	1117	5.53
16	A	1139	1099	28.36
17	A	1077	1039	30.92
18	A	887	856	4.70
19	A	779	752	47.44
20	A	594	573	33.83
21	A	560	541	123.78
22	A	533	514	29.33
23	A	482	465	30.83
24	A	386	372	102.17
25	A	276	267	3.57
26	A	145	140	3.59
27	A	96	92	3.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.877	0.050	0.076
H2	-2.088	0.768	-0.727
H3	-2.695	-0.673	0.079
H4	-1.891	0.590	1.032
H5	-0.626	-1.657	-0.040
N6	-0.631	-0.656	-0.147
C7	0.628	-0.114	-0.017
H8	-0.063	1.799	-0.412
H9	1.592	1.640	-0.078
N10	0.661	1.273	0.052
O11	1.631	-0.800	0.058

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0983	1.0918	1.0975	2.1191	1.4493	2.5119	2.5669	3.8183	2.8174	3.6091
H2	1.0983		1.7590	1.7792	2.9137	2.1185	2.9428	2.2947	3.8368	2.9021	4.1116
H3	1.0918	1.7590		1.7744	2.2938	2.0764	3.3712	3.6443	4.8730	3.8796	4.3277
H4	1.0975	1.7792	1.7744		2.7924	2.1286	2.8182	2.6250	3.8031	2.8180	3.9095
H5	2.1191	2.9137	2.2938	2.7924		1.0066	1.9893	3.5218	3.9735	3.2020	2.4168
N6	1.4493	2.1185	2.0764	2.1286	1.0066		1.3772	2.5343	3.1961	2.3306	2.2757
C7	2.5119	2.9428	3.3712	2.8182	1.9893	1.3772		2.0718	2.0013	1.3887	1.2173
H8	2.5669	2.2947	3.6443	2.6250	3.5218	2.5343	2.0718		1.6952	1.0083	3.1374
H9	3.8183	3.8368	4.8730	3.8031	3.9735	3.1961	2.0013	1.6952		1.0083	2.4432
N10	2.8174	2.9021	3.8796	2.8180	3.2020	2.3306	1.3887	1.0083	1.0083		2.2882
O11	3.6091	4.1116	4.3277	3.9095	2.4168	2.2757	1.2173	3.1374	2.4432	2.2882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.677	C1	N6	C7	125.252
H2	C1	H3	106.835	H2	C1	H4	108.273
H2	C1	N6	111.677	H3	C1	H4	108.343
H3	C1	N6	108.753	H4	C1	N6	112.742
H5	N6	C7	111.905	N6	C7	N10	114.614
N6	C7	O11	122.543	C7	N10	H8	119.697
C7	N10	H9	112.894	H8	N10	H9	114.968
N10	C7	O11	122.826

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

using model chemistry: G4

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	-0.330
2	H	0.123
3	H	0.137
4	H	0.136
5	H	0.253
6	N	-0.308
7	C	0.418
8	H	0.249
9	H	0.260
10	N	-0.544
11	O	-0.394

	x	y	z	Total
	-3.297	1.849	-0.618	3.830
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	118.722
(<r²>)^1/2	10.896

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

using model chemistry: G4

States and conformations

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