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	hartrees
Energy at 0K	-322.377443
Energy at 298.15K	-322.386268
HF Energy	-321.767739
Nuclear repulsion energy	239.224039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3642	46.22
2	A	3629	3495	50.15
3	A	3165	3048	32.99
4	A	3141	3025	30.05
5	A	3094	2980	36.15
6	A	3039	2927	25.32
7	A	3025	2913	42.66
8	A	1719	1656	383.04
9	A	1673	1611	203.13
10	A	1553	1496	2.87
11	A	1541	1484	8.07
12	A	1522	1466	7.53
13	A	1466	1412	10.84
14	A	1426	1373	17.99
15	A	1313	1264	0.36
16	A	1299	1251	395.65
17	A	1179	1135	5.13
18	A	1150	1108	5.45
19	A	1081	1041	49.70
20	A	1052	1013	105.72
21	A	959	923	77.72
22	A	870	838	0.58
23	A	788	759	32.95
24	A	704	678	41.54
25	A	542	522	4.08
26	A	536	516	167.20
27	A	519	499	5.09
28	A	365	352	0.68
29	A	359	345	206.64
30	A	246	236	0.00
31	A	207	200	3.45
32	A	96	92	0.00
33	A	55	53	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.623	-0.269	0.000
H2	-2.690	-0.907	0.896
H3	-3.469	0.441	-0.000
H4	-2.690	-0.907	-0.895
C5	-1.291	0.506	-0.000
H6	-1.190	1.132	-0.907
H7	-1.190	1.132	0.907
O8	-0.217	-0.538	-0.000
N9	1.438	1.188	0.000
H10	0.734	1.915	0.000
H11	2.416	1.455	0.000
C12	1.157	-0.183	0.000
O13	2.036	-1.075	0.000

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.1016	1.1054	1.1016	1.5406	2.1991	2.1991	2.4207	4.3140	4.0045	5.3257	3.7805	4.7281
H2	1.1016		1.7963	1.7915	2.1809	3.1074	2.5308	2.6565	4.7153	4.5265	5.6972	4.0160	4.8139
H3	1.1054	1.7963		1.7963	2.1791	2.5482	2.5482	3.3967	4.9637	4.4542	5.9724	4.6683	5.7108
H4	1.1016	1.7915	1.7963		2.1809	2.5309	3.1074	2.6564	4.7154	4.5267	5.6974	4.0160	4.8138
C5	1.5406	2.1809	2.1791	2.1809		1.1066	1.1066	1.4982	2.8131	2.4670	3.8271	2.5435	3.6842
H6	2.1991	3.1074	2.5482	2.5309	1.1066		1.8145	2.1350	2.7811	2.2673	3.7333	2.8394	4.0131
H7	2.1991	2.5308	2.5482	3.1074	1.1066	1.8145		2.1351	2.7809	2.2670	3.7331	2.8394	4.0131
O8	2.4207	2.6565	3.3967	2.6564	1.4982	2.1350	2.1351		2.3913	2.6306	3.3024	1.4190	2.3164
N9	4.3140	4.7153	4.9637	4.7154	2.8131	2.7811	2.7809	2.3913		1.0113	1.0142	1.4000	2.3412
H10	4.0045	4.5265	4.4542	4.5267	2.4670	2.2673	2.2670	2.6306	1.0113		1.7440	2.1401	3.2610
H11	5.3257	5.6972	5.9724	5.6974	3.8271	3.7333	3.7331	3.3024	1.0142	1.7440		2.0662	2.5583
C12	3.7805	4.0160	4.6683	4.0160	2.5435	2.8394	2.8394	1.4190	1.4000	2.1401	2.0662		1.2525
O13	4.7281	4.8139	5.7108	4.8138	3.6842	4.0131	4.0131	2.3164	2.3412	3.2610	2.5583	1.2525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.299	C1	C5	H7	111.294
C1	C5	O8	105.604	H2	C1	H3	108.960
H2	C1	H4	108.797	H2	C1	C5	110.152
H3	C1	H4	108.960	H3	C1	C5	109.789
H4	C1	C5	110.153	C5	O8	C12	121.337
H6	C5	H7	110.149	H6	C5	O8	109.180
H7	C5	O8	109.183	O8	C12	N9	116.051
O8	C12	O13	120.116	N9	C12	O13	123.832
H10	N9	H11	118.867	H10	N9	C12	124.333
H11	N9	C12	116.801

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)