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	hartrees
Energy at 0K	-303.118351
Energy at 298.15K	-303.128506
HF Energy	-302.064561
Nuclear repulsion energy	247.502008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3655	3655
2	A	3216	3216
3	A	3169	3169
4	A	3083	3083
5	A	1771	1771
6	A	1559	1559
7	A	1529	1529
8	A	1505	1505
9	A	1486	1486
10	A	1218	1218
11	A	1190	1190
12	A	1157	1157
13	A	931	931
14	A	567	567
15	A	449	449
16	A	222	222
17	A	189	189
18	A	106	106
19	B	3653	3653
20	B	3215	3215
21	B	3170	3170
22	B	3082	3082
23	B	1583	1583
24	B	1547	1547
25	B	1524	1524
26	B	1489	1489
27	B	1290	1290
28	B	1177	1177
29	B	1162	1162
30	B	1053	1053
31	B	757	757
32	B	736	736
33	B	505	505
34	B	317	317
35	B	131	131
36	B	124	124

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.085
O2	0.000	0.000	1.318
N3	0.000	1.165	-0.674
N4	0.000	-1.165	-0.674
C5	-0.251	2.424	0.026
C6	0.251	-2.424	0.026
H7	-0.448	1.078	-1.575
H8	0.448	-1.078	-1.575
H9	-0.097	3.241	-0.677
H10	0.097	-3.241	-0.677
H11	0.459	2.517	0.844
H12	-0.459	-2.517	0.844
H13	-1.262	2.479	0.439
H14	1.262	-2.479	0.439

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2330	1.3900	1.3900	2.4373	2.4373	2.0299	2.0299	3.3309	3.3309	2.6684	2.6684	2.8040	2.8040
O2	1.2330		2.3074	2.3074	2.7581	2.7581	3.1202	3.1202	3.8072	3.8072	2.6019	2.6019	2.9175	2.9175
N3	1.3900	2.3074		2.3292	1.4621	3.6645	1.0106	2.4584	2.0787	4.4067	2.0837	4.0082	2.1347	4.0131
N4	1.3900	2.3074	2.3292		3.6645	1.4621	2.4584	1.0106	4.4067	2.0787	4.0082	2.0837	4.0131	2.1347
C5	2.4373	2.7581	1.4621	3.6645		4.8732	2.1008	3.9135	1.0892	5.7187	1.0871	5.0119	1.0934	5.1473
C6	2.4373	2.7581	3.6645	1.4621	4.8732		3.9135	2.1008	5.7187	1.0892	5.0119	1.0871	5.1473	1.0934
H7	2.0299	3.1202	1.0106	2.4584	2.1008	3.9135		2.3351	2.3681	4.4451	2.9571	4.3330	2.5846	4.4309
H8	2.0299	3.1202	2.4584	1.0106	3.9135	2.1008	2.3351		4.4451	2.3681	4.3330	2.9571	4.4309	2.5846
H9	3.3309	3.8072	2.0787	4.4067	1.0892	5.7187	2.3681	4.4451		6.4849	1.7739	5.9662	1.7841	5.9840
H10	3.3309	3.8072	4.4067	2.0787	5.7187	1.0892	4.4451	2.3681	6.4849		5.9662	1.7739	5.9840	1.7841
H11	2.6684	2.6019	2.0837	4.0082	1.0871	5.0119	2.9571	4.3330	1.7739	5.9662		5.1166	1.7687	5.0760
H12	2.6684	2.6019	4.0082	2.0837	5.0119	1.0871	4.3330	2.9571	5.9662	1.7739	5.1166		5.0760	1.7687
H13	2.8040	2.9175	2.1347	4.0131	1.0934	5.1473	2.5846	4.4309	1.7841	5.9840	1.7687	5.0760		5.5634
H14	2.8040	2.9175	4.0131	2.1347	5.1473	1.0934	4.4309	2.5846	5.9840	1.7841	5.0760	1.7687	5.5634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.401	C1	N3	H7	114.546
C1	N4	C6	117.401	C1	N4	H8	114.546
O2	C1	N3	123.089	O2	C1	N4	123.089
N3	C1	N4	113.821	N3	C5	H9	108.239
N3	C5	H11	108.758	N3	C5	H13	112.505
N4	C6	H10	108.239	N4	C6	H12	108.758
N4	C6	H14	112.505	C5	N3	H7	115.122
C6	N4	H8	115.122	H9	C5	H11	109.205
H9	C5	H13	109.661	H10	C6	H12	109.205
H10	C6	H14	109.661	H11	C5	H13	108.425
H12	C6	H14	108.425

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

using model chemistry: QCISD(T)=FULL/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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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: QCISD(T)=FULL/6-31+G**

States and conformations

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