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	hartrees
Energy at 0K	-303.001081
Energy at 298.15K	-303.011238
HF Energy	-302.037270
Nuclear repulsion energy	247.188532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3576	3414
2	A	3189	3045
3	A	3137	2995
4	A	3053	2915
5	A	1788	1707
6	A	1560	1490
7	A	1534	1465
8	A	1504	1436
9	A	1483	1416
10	A	1217	1162
11	A	1190	1136
12	A	1156	1104
13	A	930	888
14	A	588	561
15	A	460	439
16	A	227	217
17	A	198	189
18	A	106	101
19	B	3574	3413
20	B	3189	3045
21	B	3137	2996
22	B	3052	2914
23	B	1585	1513
24	B	1548	1478
25	B	1529	1460
26	B	1486	1419
27	B	1287	1229
28	B	1174	1121
29	B	1161	1108
30	B	1062	1014
31	B	755	721
32	B	738	705
33	B	511	488
34	B	324	309
35	B	126	120
36	B	115	110

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.090
O2	0.000	0.000	1.325
N3	0.000	1.164	-0.678
N4	0.000	-1.164	-0.678
C5	-0.270	2.418	0.023
C6	0.270	-2.418	0.023
H7	-0.470	1.069	-1.575
H8	0.470	-1.069	-1.575
H9	-0.077	3.249	-0.664
H10	0.077	-3.249	-0.664
H11	0.411	2.491	0.875
H12	-0.411	-2.491	0.875
H13	-1.301	2.485	0.400
H14	1.301	-2.485	0.400

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2344	1.3941	1.3941	2.4336	2.4336	2.0331	2.0331	3.3360	3.3360	2.6436	2.6436	2.8222	2.8222
O2	1.2344		2.3158	2.3158	2.7588	2.7588	3.1252	3.1252	3.8099	3.8099	2.5639	2.5639	2.9536	2.9536
N3	1.3941	2.3158		2.3270	1.4618	3.6591	1.0168	2.4509	2.0866	4.4129	2.0838	3.9917	2.1450	4.0209
N4	1.3941	2.3158	2.3270		3.6591	1.4618	2.4509	1.0168	4.4129	2.0866	3.9917	2.0838	4.0209	2.1450
C5	2.4336	2.7588	1.4618	3.6591		4.8653	2.1008	3.9055	1.0955	5.7184	1.0928	4.9837	1.1002	5.1621
C6	2.4336	2.7588	3.6591	1.4618	4.8653		3.9055	2.1008	5.7184	1.0955	4.9837	1.0928	5.1621	1.1002
H7	2.0331	3.1252	1.0168	2.4509	2.1008	3.9055		2.3344	2.3949	4.4458	2.9664	4.3212	2.5684	4.4344
H8	2.0331	3.1252	2.4509	1.0168	3.9055	2.1008	2.3344		4.4458	2.3949	4.3212	2.9664	4.4344	2.5684
H9	3.3360	3.8099	2.0866	4.4129	1.0955	5.7184	2.3949	4.4458		6.4991	1.7842	5.9515	1.7926	5.9925
H10	3.3360	3.8099	4.4129	2.0866	5.7184	1.0955	4.4458	2.3949	6.4991		5.9515	1.7842	5.9925	1.7926
H11	2.6436	2.5639	2.0838	3.9917	1.0928	4.9837	2.9664	4.3212	1.7842	5.9515		5.0485	1.7765	5.0771
H12	2.6436	2.5639	3.9917	2.0838	4.9837	1.0928	4.3212	2.9664	5.9515	1.7842	5.0485		5.0771	1.7765
H13	2.8222	2.9536	2.1450	4.0209	1.1002	5.1621	2.5684	4.4344	1.7926	5.9925	1.7765	5.0771		5.6103
H14	2.8222	2.9536	4.0209	2.1450	5.1621	1.1002	4.4344	2.5684	5.9925	1.7926	5.0771	1.7765	5.6103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.868	C1	N3	H7	114.066
C1	N4	C6	116.868	C1	N4	H8	114.066
O2	C1	N3	123.423	O2	C1	N4	123.423
N3	C1	N4	113.155	N3	C5	H9	108.507
N3	C5	H11	108.445	N3	C5	H13	112.938
N4	C6	H10	108.507	N4	C6	H12	108.445
N4	C6	H14	112.938	C5	N3	H7	114.702
C6	N4	H8	114.702	H9	C5	H11	109.237
H9	C5	H13	109.449	H10	C6	H12	109.237
H10	C6	H14	109.449	H11	C5	H13	108.210
H12	C6	H14	108.210

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: MP4/6-31G*

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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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)