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	hartrees
Energy at 0K	-320.693849
Energy at 298.15K	-320.702859
HF Energy	-320.074099
Nuclear repulsion energy	242.070763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3714	3533	34.05
2	A	3583	3409	34.39
3	A	3196	3041	17.40
4	A	3180	3025	16.27
5	A	3125	2973	23.87
6	A	3104	2953	10.43
7	A	3059	2910	37.60
8	A	1790	1703	336.48
9	A	1719	1636	81.44
10	A	1623	1544	4.91
11	A	1604	1525	7.29
12	A	1589	1512	4.95
13	A	1497	1424	7.83
14	A	1455	1384	17.09
15	A	1357	1291	5.01
16	A	1305	1242	357.41
17	A	1214	1155	5.26
18	A	1170	1113	7.46
19	A	1094	1041	78.98
20	A	1067	1015	96.02
21	A	975	927	23.30
22	A	883	840	0.77
23	A	822	782	29.24
24	A	763	726	53.50
25	A	564	537	8.98
26	A	554	527	128.16
27	A	542	515	2.99
28	A	387	369	103.64
29	A	357	339	88.32
30	A	267	254	0.92
31	A	213	202	1.15
32	A	89	85	0.34
33	A	64	61	4.70

Atom	x (Å)	y (Å)	z (Å)
C1	-2.574	-0.270	0.078
H2	-2.523	-1.048	0.844
H3	-3.410	0.402	0.296
H4	-2.734	-0.745	-0.893
C5	-1.254	0.507	0.055
H6	-1.282	1.288	-0.716
H7	-1.043	0.973	1.022
O8	-0.216	-0.502	-0.264
N9	1.414	1.173	0.032
H10	0.789	1.871	-0.343
H11	2.384	1.428	0.169
C12	1.139	-0.186	-0.030
O13	1.972	-1.084	0.111

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0923	1.0948	1.0924	1.5324	2.1749	2.1873	2.3941	4.2421	4.0089	5.2417	3.7156	4.6188
H2	1.0923		1.7856	1.7755	2.1563	3.0709	2.5114	2.6165	4.5928	4.5708	5.5372	3.8620	4.5546
H3	1.0948	1.7856		1.7848	2.1725	2.5180	2.5416	3.3666	4.8932	4.4942	5.8857	4.5986	5.5870
H4	1.0924	1.7755	1.7848		2.1579	2.5048	3.0794	2.6072	4.6632	4.4222	5.6608	4.0075	4.8245
C5	1.5324	2.1563	2.1725	2.1579		1.0982	1.0950	1.4818	2.7503	2.4881	3.7542	2.4923	3.5974
H6	2.1749	3.0709	2.5180	2.5048	1.0982		1.7833	2.1323	2.8007	2.1833	3.7738	2.9164	4.1114
H7	2.1873	2.5114	2.5416	3.0794	1.0950	1.7833		2.1246	2.6569	2.4543	3.5604	2.6851	3.7620
O8	2.3941	2.6165	3.3666	2.6072	1.4818	2.1323	2.1246		2.3560	2.5779	3.2666	1.4108	2.2951
N9	4.2421	4.5928	4.8932	4.6632	2.7503	2.8007	2.6569	2.3560		1.0093	1.0117	1.3878	2.3263
H10	4.0089	4.5708	4.4942	4.4222	2.4881	2.1833	2.4543	2.5779	1.0093		1.7326	2.1095	3.2152
H11	5.2417	5.5372	5.8857	5.6608	3.7542	3.7738	3.5604	3.2666	1.0117	1.7326		2.0479	2.5462
C12	3.7156	3.8620	4.5986	4.0075	2.4923	2.9164	2.6851	1.4108	1.3878	2.1095	2.0479		1.2333
O13	4.6188	4.5546	5.5870	4.8245	3.5974	4.1114	3.7620	2.2951	2.3263	3.2152	2.5462	1.2333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	110.455	C1	C5	H7	111.639
C1	C5	O8	105.160	H2	C1	H3	109.461
H2	C1	H4	108.726	H2	C1	C5	109.336
H3	C1	H4	109.373	H3	C1	C5	110.466
H4	C1	C5	109.452	C5	O8	C12	118.975
H6	C5	H7	108.801	H6	C5	O8	110.590
H7	C5	O8	110.174	O8	C12	N9	114.672
O8	C12	O13	120.309	N9	C12	O13	125.017
H10	N9	H11	118.032	H10	N9	C12	122.507
H11	N9	C12	116.303

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)