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	hartrees
Energy at 0K	-303.009584
Energy at 298.15K	-303.020209
HF Energy	-302.075024
Nuclear repulsion energy	243.477627

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3712	3536	26.91
2	A	3613	3441	24.07
3	A	3587	3417	19.35
4	A	3198	3046	17.13
5	A	3185	3033	24.84
6	A	3114	2966	30.16
7	A	3087	2940	15.68
8	A	3060	2914	38.25
9	A	1844	1757	402.56
10	A	1625	1548	136.68
11	A	1527	1455	2.32
12	A	1502	1431	2.92
13	A	1492	1421	7.10
14	A	1466	1397	42.28
15	A	1447	1378	211.21
16	A	1413	1346	14.79
17	A	1361	1296	23.84
18	A	1307	1245	9.03
19	A	1215	1157	21.01
20	A	1165	1110	2.30
21	A	1149	1094	29.15
22	A	1090	1038	16.91
23	A	1005	957	4.01
24	A	912	869	1.37
25	A	822	783	2.09
26	A	799	761	79.55
27	A	670	638	38.06
28	A	620	590	197.25
29	A	562	535	17.36
30	A	508	483	42.56
31	A	417	397	49.57
32	A	364	347	0.32
33	A	288	275	2.69
34	A	203	193	1.11
35	A	120	115	8.93
36	A	65	62	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	-2.615	-0.207	-0.012
H2	-2.692	-1.104	0.626
H3	-3.430	0.479	0.268
H4	-2.756	-0.514	-1.061
C5	-1.259	0.467	0.168
H6	-1.228	1.376	-0.458
H7	-1.127	0.794	1.218
N8	-0.200	-0.448	-0.254
H9	-0.385	-1.428	-0.049
N10	1.446	1.188	0.039
H11	2.445	1.340	-0.074
H12	0.894	1.785	-0.572
C13	1.148	-0.175	-0.032
O14	1.989	-1.053	0.108

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1035	1.1014	1.1019	1.5247	2.1517	2.1739	2.4393	2.5428	4.2940	5.2917	4.0732	3.7628	4.6826
H2	1.1035		1.7825	1.7879	2.1752	3.0777	2.5297	2.7237	2.4259	4.7669	5.7322	4.7581	4.0051	4.7103
H3	1.1014	1.7825		1.7904	2.1740	2.4870	2.5113	3.4013	3.6072	4.9330	5.9483	4.5945	4.6343	5.6340
H4	1.1019	1.7879	1.7904		2.1707	2.5047	3.0908	2.6812	2.7346	4.6650	5.6091	4.3410	4.0510	4.9161
C5	1.5247	2.1752	2.1740	2.1707		1.1046	1.1075	1.4613	2.0980	2.8022	3.8133	2.6302	2.4985	3.5861
H6	2.1517	3.0777	2.4870	2.5047	1.1046		1.7769	2.1037	2.9570	2.7258	3.6929	2.1633	2.8689	4.0704
H7	2.1739	2.5297	2.5113	3.0908	1.1075	1.7769		2.1369	2.6632	2.8574	3.8379	2.8754	2.7702	3.7883
N8	2.4393	2.7237	3.4013	2.6812	1.4613	2.1037	2.1369		1.0189	2.3388	3.1975	2.5061	1.3924	2.2994
H9	2.5428	2.4259	3.6072	2.7346	2.0980	2.9570	2.6632	1.0189		3.1949	3.9595	3.4977	1.9801	2.4088
N10	4.2940	4.7669	4.9330	4.6650	2.8022	2.7258	2.8574	2.3388	3.1949		1.0171	1.0168	1.3974	2.3070
H11	5.2917	5.7322	5.9483	5.6091	3.8133	3.6929	3.8379	3.1975	3.9595	1.0171		1.6887	1.9954	2.4431
H12	4.0732	4.7581	4.5945	4.3410	2.6302	2.1633	2.8754	2.5061	3.4977	1.0168	1.6887		2.0487	3.1167
C13	3.7628	4.0051	4.6343	4.0510	2.4985	2.8689	2.7702	1.3924	1.9801	1.3974	1.9954	2.0487		1.2239
O14	4.6826	4.7103	5.6340	4.9161	3.5861	4.0704	3.7883	2.2994	2.4088	2.3070	2.4431	3.1167	1.2239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.791	C1	C5	H7	110.349
C1	C5	N8	109.537	H2	C1	H3	107.886
H2	C1	H4	108.323	H2	C1	C5	110.690
H3	C1	H4	108.701	H3	C1	C5	110.727
H4	C1	C5	110.429	C5	N8	H9	114.352
C5	N8	C13	122.195	H6	C5	H7	106.883
H6	C5	N8	109.359	H7	C5	N8	111.842
N8	C13	N10	113.930	N8	C13	O14	122.884
H9	N8	C13	109.427	N10	C13	O14	123.177
H11	N10	H12	112.250	H11	N10	C13	110.480
H12	N10	C13	115.220

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)

using model chemistry: MP2/cc-pVDZ

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 NH2CONHC2H5 (Urea, ethyl-)

using model chemistry: MP2/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)