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	hartrees
Energy at 0K	-263.109262
Energy at 298.15K	-263.117650
HF Energy	-263.109262
Nuclear repulsion energy	184.683405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3939	3579	47.08
2	A	3873	3519	49.83
3	A	3820	3471	42.30
4	A	3267	2969	28.08
5	A	3212	2919	47.33
6	A	3165	2875	50.73
7	A	1928	1752	712.28
8	A	1779	1617	155.75
9	A	1647	1497	31.32
10	A	1618	1471	22.61
11	A	1614	1467	27.42
12	A	1598	1452	39.49
13	A	1521	1382	244.25
14	A	1308	1188	1.85
15	A	1250	1135	7.28
16	A	1226	1114	49.86
17	A	1172	1065	33.68
18	A	950	863	6.59
19	A	862	783	72.53
20	A	642	583	35.63
21	A	600	545	41.21
22	A	550	500	115.00
23	A	510	463	22.29
24	A	400	363	195.29
25	A	308	280	4.04
26	A	182	165	1.63
27	A	104	94	6.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.869	0.117	0.001
H2	-1.889	0.831	-0.814
H3	-2.743	-0.517	-0.097
H4	-1.929	0.655	0.940
H5	-0.692	-1.402	0.656
N6	-0.660	-0.723	-0.089
C7	0.591	-0.121	-0.015
H8	0.267	1.746	-0.638
H9	1.682	1.478	0.128
N10	0.701	1.250	0.127
O11	1.586	-0.808	-0.044

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0836	1.0838	1.0847	2.0302	1.4743	2.4716	2.7617	3.8056	2.8117	3.5764
H2	1.0836		1.7496	1.7636	2.9292	2.1094	2.7741	2.3493	3.7500	2.7873	3.9181
H3	1.0838	1.7496		1.7643	2.3569	2.0923	3.3581	3.8048	4.8593	3.8772	4.3382
H4	1.0847	1.7636	1.7643		2.4172	2.1372	2.8048	2.9162	3.7920	2.8165	3.9320
H5	2.0302	2.9292	2.3569	2.4172		1.0085	1.9328	3.5359	3.7693	3.0418	2.4552
N6	1.4743	2.1094	2.0923	2.1372	1.0085		1.3905	2.6940	3.2218	2.4068	2.2480
C7	2.4716	2.7741	3.3581	2.8048	1.9328	1.3905		1.9948	1.9415	1.3832	1.2088
H8	2.7617	2.3493	3.8048	2.9162	3.5359	2.6940	1.9948		1.6313	1.0091	2.9348
H9	3.8056	3.7500	4.8593	3.7920	3.7693	3.2218	1.9415	1.6313		1.0076	2.2943
N10	2.8117	2.7873	3.8772	2.8165	3.0418	2.4068	1.3832	1.0091	1.0076		2.2465
O11	3.5764	3.9181	4.3382	3.9320	2.4552	2.2480	1.2088	2.9348	2.2943	2.2465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	108.247	C1	N6	C7	119.228
H2	C1	H3	107.647	H2	C1	H4	108.847
H2	C1	N6	110.167	H3	C1	H4	108.897
H3	C1	N6	108.788	H4	C1	N6	112.377
H5	N6	C7	106.261	N6	C7	N10	120.390
N6	C7	O11	119.572	C7	N10	H8	112.045
C7	N10	H9	107.557	H8	N10	H9	107.977
N10	C7	O11	120.013

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

using model chemistry: HF/TZVP

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	-0.165
2	H	0.083
3	H	0.103
4	H	0.109
5	H	0.257
6	N	-0.326
7	C	0.380
8	H	0.226
9	H	0.250
10	N	-0.415
11	O	-0.502

	x	y	z	Total
	-3.874	2.339	-0.539	4.558
CHELPG
AIM
ESP

	x	y	z
x	6.677	-0.258	0.083
y	-0.258	5.799	-0.046
z	0.083	-0.046	4.242

<r²>	117.475
(<r²>)^1/2	10.839

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

using model chemistry: HF/TZVP

States and conformations

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