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	hartrees
Energy at 0K	-264.486681
Energy at 298.15K	-264.494904
HF Energy	-264.486681
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3741	3549	31.75
2	A	3690	3500	38.62
3	A	3626	3439	22.59
4	A	3179	3016	16.22
5	A	3108	2948	38.62
6	A	3051	2894	46.30
7	A	1866	1770	464.99
8	A	1673	1586	147.86
9	A	1561	1481	42.30
10	A	1530	1451	26.97
11	A	1523	1444	55.74
12	A	1486	1410	50.31
13	A	1440	1366	111.75
14	A	1233	1169	5.08
15	A	1176	1116	15.76
16	A	1164	1104	16.29
17	A	1108	1051	28.39
18	A	913	866	4.27
19	A	791	750	81.85
20	A	615	583	43.26
21	A	579	549	168.55
22	A	548	520	16.26
23	A	490	464	44.06
24	A	396	375	122.76
25	A	289	274	3.71
26	A	175	166	2.05
27	A	121	115	7.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.870	0.059	0.098
H2	-2.080	0.817	-0.666
H3	-2.694	-0.657	0.072
H4	-1.857	0.547	1.080
H5	-0.635	-1.649	-0.054
N6	-0.638	-0.650	-0.188
C7	0.620	-0.114	-0.019
H8	-0.016	1.798	-0.470
H9	1.615	1.620	-0.050
N10	0.672	1.270	0.047
O11	1.616	-0.810	0.075

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0969	1.0916	1.0971	2.1135	1.4499	2.4986	2.6051	3.8214	2.8166	3.5933
H2	1.0969		1.7588	1.7813	2.9237	2.1123	2.9286	2.2941	3.8311	2.8793	4.1065
H3	1.0916	1.7588		1.7795	2.2901	2.0732	3.3595	3.6733	4.8749	3.8789	4.3136
H4	1.0971	1.7813	1.7795		2.7573	2.1271	2.7889	2.7124	3.8050	2.8255	3.8620
H5	2.1135	2.9237	2.2901	2.7573		1.0086	1.9827	3.5271	3.9682	3.2001	2.4057
N6	1.4499	2.1123	2.0732	2.1271	1.0086		1.3769	2.5411	3.2003	2.3358	2.2749
C7	2.4986	2.9286	3.3595	2.7889	1.9827	1.3769		2.0650	1.9994	1.3870	1.2194
H8	2.6051	2.2941	3.6733	2.7124	3.5271	2.5411	2.0650		1.6932	1.0099	3.1249
H9	3.8214	3.8311	4.8749	3.8050	3.9682	3.2003	1.9994	1.6932		1.0101	2.4335
N10	2.8166	2.8793	3.8789	2.8255	3.2001	2.3358	1.3870	1.0099	1.0101		2.2851
O11	3.5933	4.1065	4.3136	3.8620	2.4057	2.2749	1.2194	3.1249	2.4335	2.2851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.425	C1	N6	C7	124.213
H2	C1	H3	106.963	H2	C1	H4	108.570
H2	C1	N6	111.316	H3	C1	H4	108.791
H3	C1	N6	108.496	H4	C1	N6	112.527
H5	N6	C7	111.497	N6	C7	N10	115.366
N6	C7	O11	122.262	C7	N10	H8	118.119
C7	N10	H9	112.088	H8	N10	H9	113.905
N10	C7	O11	122.370

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

using model chemistry: wB97X-D/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	-0.363
2	H	0.170
3	H	0.189
4	H	0.190
5	H	0.359
6	N	-0.624
7	C	0.706
8	H	0.344
9	H	0.362
10	N	-0.797
11	O	-0.535

	x	y	z	Total
	-3.417	1.959	-0.658	3.993
CHELPG
AIM
ESP

	x	y	z
x	6.742	-0.130	0.188
y	-0.130	5.794	-0.084
z	0.188	-0.084	3.446

<r²>	118.195
(<r²>)^1/2	10.872

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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