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	hartrees
Energy at 0K	-263.046183
Energy at 298.15K	-263.054596
Nuclear repulsion energy	184.688256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3947	3574	41.95
2	A	3887	3519	46.97
3	A	3827	3466	37.54
4	A	3267	2958	26.43
5	A	3213	2910	47.76
6	A	3162	2863	46.66
7	A	1959	1774	591.89
8	A	1776	1608	147.05
9	A	1645	1489	31.58
10	A	1617	1464	26.05
11	A	1611	1459	33.09
12	A	1592	1442	34.46
13	A	1522	1378	197.25
14	A	1310	1186	2.27
15	A	1252	1133	8.19
16	A	1230	1114	42.81
17	A	1173	1062	30.18
18	A	953	863	6.59
19	A	884	800	82.40
20	A	647	586	35.27
21	A	599	543	75.80
22	A	573	519	84.00
23	A	523	474	39.97
24	A	417	378	141.88
25	A	305	277	3.27
26	A	173	157	2.31
27	A	106	96	5.63

Atom	x (Å)	y (Å)	z (Å)
C1	-1.865	0.065	0.085
H2	-2.058	0.815	-0.678
H3	-2.679	-0.647	0.041
H4	-1.885	0.548	1.058
H5	-0.634	-1.626	-0.051
N6	-0.630	-0.641	-0.163
C7	0.620	-0.117	-0.018
H8	-0.021	1.791	-0.397
H9	1.610	1.602	-0.056
N10	0.686	1.252	0.042
O11	1.593	-0.806	0.067

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0866	1.0823	1.0866	2.0960	1.4437	2.4943	2.5720	3.8030	2.8143	3.5664
H2	1.0866		1.7438	1.7643	2.8946	2.1027	2.9113	2.2763	3.8027	2.8702	4.0635
H3	1.0823	1.7438		1.7586	2.2689	2.0590	3.3424	3.6339	4.8444	3.8640	4.2752
H4	1.0866	1.7643	1.7586		2.7421	2.1160	2.8062	2.6719	3.8169	2.8525	3.8616
H5	2.0960	2.8946	2.2689	2.7421		0.9920	1.9632	3.4892	3.9320	3.1677	2.3765
N6	1.4437	2.1027	2.0590	2.1160	0.9920		1.3637	2.5179	3.1720	2.3143	2.2414
C7	2.4943	2.9113	3.3424	2.8062	1.9632	1.3637		2.0480	1.9839	1.3712	1.1954
H8	2.5720	2.2763	3.6339	2.6719	3.4892	2.5179	2.0480		1.6768	0.9918	3.0929
H9	3.8030	3.8027	4.8444	3.8169	3.9320	3.1720	1.9839	1.6768		0.9932	2.4117
N10	2.8143	2.8702	3.8640	2.8525	3.1677	2.3143	1.3712	0.9918	0.9932		2.2491
O11	3.5664	4.0635	4.2752	3.8616	2.3765	2.2414	1.1954	3.0929	2.4117	2.2491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.549	C1	N6	C7	125.343
H2	C1	H3	107.029	H2	C1	H4	108.546
H2	C1	N6	111.623	H3	C1	H4	108.353
H3	C1	N6	108.353	H4	C1	N6	112.731
H5	N6	C7	111.925	N6	C7	N10	115.600
N6	C7	O11	122.150	C7	N10	H8	119.282
C7	N10	H9	113.110	H8	N10	H9	115.286
N10	C7	O11	122.245

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

using model chemistry: HF/6-31G(2df,p)

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	-0.299
2	H	0.138
3	H	0.160
4	H	0.152
5	H	0.299
6	N	-0.491
7	C	0.627
8	H	0.296
9	H	0.305
10	N	-0.666
11	O	-0.520

	x	y	z	Total
	-3.493	2.140	-0.580	4.137
CHELPG
AIM
ESP

	x	y	z
x	6.446	-0.124	0.105
y	-0.124	5.609	-0.065
z	0.105	-0.065	3.803

<r²>	116.950
(<r²>)^1/2	10.814

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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