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	hartrees
Energy at 0K	-264.600024
Energy at 298.15K	-264.608008
HF Energy	-264.600024
Nuclear repulsion energy	181.996528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3695	3557	35.31
2	A	3642	3505	39.81
3	A	3568	3434	16.31
4	A	3146	3028	17.47
5	A	3072	2957	39.42
6	A	3020	2907	54.56
7	A	1769	1703	534.49
8	A	1636	1575	140.22
9	A	1539	1481	34.51
10	A	1509	1453	8.78
11	A	1495	1439	54.90
12	A	1449	1394	36.38
13	A	1404	1352	170.27
14	A	1199	1154	1.90
15	A	1152	1109	6.25
16	A	1130	1088	31.00
17	A	1071	1031	31.95
18	A	887	853	3.79
19	A	751	723	36.74
20	A	587	565	41.24
21	A	542	522	109.95
22	A	516	496	54.15
23	A	474	456	26.90
24	A	376	362	136.69
25	A	268	258	3.63
26	A	146	141	3.28
27	A	92	89	5.42

Atom	x (Å)	y (Å)	z (Å)
C1	-1.885	0.049	0.088
H2	-2.083	0.803	-0.684
H3	-2.703	-0.672	0.049
H4	-1.897	0.540	1.070
H5	-0.630	-1.660	-0.055
N6	-0.635	-0.655	-0.166
C7	0.629	-0.113	-0.023
H8	-0.061	1.821	-0.406
H9	1.598	1.656	-0.045
N10	0.665	1.276	0.041
O11	1.638	-0.806	0.069

	C1	H2	H3	H4	H5	N6	C7	H8	H9	N10	O11
C1		1.0970	1.0914	1.0974	2.1253	1.4574	2.5211	2.5897	3.8374	2.8295	3.6252
H2	1.0970		1.7601	1.7828	2.9283	2.1200	2.9375	2.2803	3.8317	2.8808	4.1235
H3	1.0914	1.7601		1.7774	2.2984	2.0794	3.3788	3.6604	4.8910	3.8903	4.3429
H4	1.0974	1.7828	1.7774		2.7767	2.1327	2.8285	2.6812	3.8343	2.8571	3.9128
H5	2.1253	2.9283	2.2984	2.7767		1.0110	1.9951	3.5445	3.9951	3.2106	2.4269
N6	1.4574	2.1200	2.0794	2.1327	1.0110		1.3821	2.5529	3.2155	2.3369	2.2896
C7	2.5211	2.9375	3.3788	2.8285	1.9951	1.3821		2.0883	2.0169	1.3908	1.2280
H8	2.5897	2.2803	3.6604	2.6812	3.5445	2.5529	2.0883		1.7056	1.0117	3.1643
H9	3.8374	3.8317	4.8910	3.8343	3.9951	3.2155	2.0169	1.7056		1.0110	2.4650
N10	2.8295	2.8808	3.8903	2.8571	3.2106	2.3369	1.3908	1.0117	1.0110		2.2986
O11	3.6252	4.1235	4.3429	3.9128	2.4269	2.2896	1.2280	3.1643	2.4650	2.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N6	H5	117.727	C1	N6	C7	125.192
H2	C1	H3	107.082	H2	C1	H4	108.670
H2	C1	N6	111.408	H3	C1	H4	108.591
H3	C1	N6	108.487	H4	C1	N6	112.427
H5	N6	C7	112.025	N6	C7	N10	114.860
N6	C7	O11	122.507	C7	N10	H8	119.900
C7	N10	H9	113.277	H8	N10	H9	114.961
N10	C7	O11	122.614

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

using model chemistry: TPSSh/6-31+G**

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	-0.377
2	H	0.151
3	H	0.163
4	H	0.174
5	H	0.331
6	N	-0.425
7	C	0.522
8	H	0.289
9	H	0.327
10	N	-0.608
11	O	-0.547

	x	y	z	Total
	-3.833	2.113	-0.602	4.418
CHELPG
AIM
ESP

	x	y	z
x	8.166	-0.262	0.093
y	-0.262	6.977	0.030
z	0.093	0.030	4.912

<r²>	120.114
(<r²>)^1/2	10.960

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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