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	hartrees
Energy at 0K	-62.558512
Energy at 298.15K	-62.567769
HF Energy	-61.638696
Nuclear repulsion energy	136.998557

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3705	3530	30.59
2	A	3582	3413	24.34
3	A	3197	3046	23.88
4	A	3181	3031	21.77
5	A	3141	2993	17.92
6	A	3082	2936	16.31
7	A	3056	2911	43.51
8	A	1810	1724	491.19
9	A	1678	1598	132.83
10	A	1560	1487	2.09
11	A	1535	1463	4.01
12	A	1521	1449	7.01
13	A	1461	1392	11.42
14	A	1426	1359	23.06
15	A	1349	1285	364.28
16	A	1319	1256	2.56
17	A	1195	1139	4.32
18	A	1167	1112	13.70
19	A	1122	1069	168.49
20	A	1106	1054	30.18
21	A	994	947	18.29
22	A	859	818	21.87
23	A	846	806	2.09
24	A	761	725	70.95
25	A	623	593	186.22
26	A	564	538	5.91
27	A	547	521	3.35
28	A	444	423	49.58
29	A	381	363	3.93
30	A	271	258	0.91
31	A	222	211	1.58
32	A	110	105	0.83
33	A	98	93	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	2.539	-0.241	0.068
H2	2.699	-0.855	-0.822
H3	3.349	0.492	0.145
H4	2.559	-0.886	0.950
C5	1.200	0.481	-0.021
H6	1.009	1.082	0.875
H7	1.172	1.127	-0.911
O8	0.186	-0.551	-0.138
N9	-1.421	1.145	0.123
H10	-0.835	1.799	-0.384
H11	-2.414	1.319	0.009
C12	-1.139	-0.220	-0.015
O13	-1.992	-1.096	0.037

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0929	1.0952	1.0928	1.5245	2.1776	2.1682	2.3823	4.1959	3.9691	5.1937	3.6792	4.6108
H2	1.0929		1.7808	1.7779	2.1619	3.0798	2.5038	2.6219	4.6760	4.4415	5.6179	3.9730	4.7745
H3	1.0952	1.7808		1.7810	2.1559	2.5214	2.5019	3.3426	4.8145	4.4156	5.8241	4.5472	5.5728
H4	1.0928	1.7779	1.7810		2.1590	2.5061	3.0727	2.6319	4.5439	4.5287	5.5210	3.8794	4.6462
C5	1.5245	2.1619	2.1559	2.1590		1.0954	1.0997	1.4514	2.7071	2.4513	3.7099	2.4418	3.5602
H6	2.1776	3.0798	2.5214	2.5061	1.0954		1.7936	2.0900	2.5440	2.3448	3.5390	2.6646	3.8009
H7	2.1682	2.5038	2.5019	3.0727	1.0997	1.7936		2.0941	2.7914	2.1813	3.7071	2.8212	3.9807
O8	2.3823	2.6219	3.3426	2.6319	1.4514	2.0900	2.0941		2.3508	2.5741	3.2062	1.3714	2.2516
N9	4.1959	4.6760	4.8145	4.5439	2.7071	2.5440	2.7914	2.3508		1.0138	1.0151	1.4007	2.3137
H10	3.9691	4.4415	4.4156	4.5287	2.4513	2.3448	2.1813	2.5741	1.0138		1.6965	2.0751	3.1453
H11	5.1937	5.6179	5.8241	5.5210	3.7099	3.5390	3.7071	3.2062	1.0151	1.6965		1.9988	2.4512
C12	3.6792	3.9730	4.5472	3.8794	2.4418	2.6646	2.8212	1.3714	1.4007	2.0751	1.9988		1.2230
O13	4.6108	4.7745	5.5728	4.6462	3.5602	3.8009	3.9807	2.2516	2.3137	3.1453	2.4512	1.2230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.389	C1	C5	H7	110.381
C1	C5	O8	106.336	H2	C1	H3	108.951
H2	C1	H4	108.861	H2	C1	C5	110.284
H3	C1	H4	108.973	H3	C1	C5	109.679
H4	C1	C5	110.063	C5	O8	C12	119.742
H6	C5	H7	109.591	H6	C5	O8	109.508
H7	C5	O8	109.575	O8	C12	N9	115.993
O8	C12	O13	120.315	N9	C12	O13	123.589
H10	N9	H11	113.467	H10	N9	C12	117.609
H11	N9	C12	110.650

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/CEP-121G*

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 NH2COOC2H5 (Urethane)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)