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	hartrees
Energy at 0K	-62.022348
Energy at 298.15K	-62.031111
HF Energy	-61.463242
Nuclear repulsion energy	133.372629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3792	3665	41.78
2	A	3636	3514	42.81
3	A	3176	3069	51.25
4	A	3152	3046	44.56
5	A	3113	3008	47.16
6	A	3051	2948	34.22
7	A	3036	2934	50.92
8	A	1711	1654	354.54
9	A	1658	1602	216.19
10	A	1540	1488	1.95
11	A	1526	1474	6.87
12	A	1508	1457	6.54
13	A	1460	1411	10.09
14	A	1422	1374	18.57
15	A	1305	1261	0.73
16	A	1299	1255	402.43
17	A	1174	1134	5.02
18	A	1150	1111	4.61
19	A	1079	1043	44.35
20	A	1055	1019	98.15
21	A	959	927	72.39
22	A	858	829	0.42
23	A	793	766	30.56
24	A	683	660	28.58
25	A	539	521	3.19
26	A	519	502	161.58
27	A	515	497	6.26
28	A	363	350	0.90
29	A	332	321	226.49
30	A	241	232	0.05
31	A	204	197	3.44
32	A	99	96	0.41
33	A	54	52	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-2.639	-0.268	0.000
H2	-2.710	-0.908	0.901
H3	-3.486	0.453	-0.000
H4	-2.710	-0.909	-0.901
C5	-1.292	0.505	-0.000
H6	-1.183	1.133	-0.911
H7	-1.183	1.134	0.911
O8	-0.218	-0.548	0.000
N9	1.440	1.201	0.000
H10	0.732	1.928	-0.000
H11	2.422	1.467	0.000
C12	1.160	-0.183	0.000
O13	2.051	-1.081	-0.000

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.1079	1.1119	1.1079	1.5523	2.2162	2.2161	2.4365	4.3346	4.0224	5.3500	3.7997	4.7595
H2	1.1079		1.8073	1.8017	2.1952	3.1279	2.5494	2.6738	4.7411	4.5498	5.7265	4.0391	4.8484
H3	1.1119	1.8073		1.8073	2.1940	2.5680	2.5681	3.4173	4.9820	4.4680	5.9946	4.6892	5.7451
H4	1.1079	1.8017	1.8073		2.1952	2.5497	3.1278	2.6736	4.7412	4.5499	5.7266	4.0390	4.8481
C5	1.5523	2.1952	2.1940	2.1952		1.1123	1.1123	1.5044	2.8193	2.4741	3.8373	2.5472	3.7003
H6	2.2162	3.1279	2.5680	2.5497	1.1123		1.8224	2.1425	2.7778	2.2647	3.7342	2.8383	4.0242
H7	2.2161	2.5494	2.5681	3.1278	1.1123	1.8224		2.1425	2.7777	2.2646	3.7340	2.8383	4.0243
O8	2.4365	2.6738	3.4173	2.6736	1.5044	2.1425	2.1425		2.4098	2.6523	3.3218	1.4260	2.3309
N9	4.3346	4.7411	4.9820	4.7412	2.8193	2.7778	2.7777	2.4098		1.0155	1.0181	1.4115	2.3617
H10	4.0224	4.5498	4.4680	4.5499	2.4741	2.2647	2.2646	2.6523	1.0155		1.7527	2.1543	3.2856
H11	5.3500	5.7265	5.9946	5.7266	3.8373	3.7342	3.7340	3.3218	1.0181	1.7527		2.0774	2.5747
C12	3.7997	4.0391	4.6892	4.0390	2.5472	2.8383	2.8383	1.4260	1.4115	2.1543	2.0774		1.2647
O13	4.7595	4.8484	5.7451	4.8481	3.7003	4.0242	4.0243	2.3309	2.3617	3.2856	2.5747	1.2647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.487	C1	C5	H7	111.480
C1	C5	O8	105.706	H2	C1	H3	109.014
H2	C1	H4	108.806	H2	C1	C5	110.100
H3	C1	H4	109.014	H3	C1	C5	109.777
H4	C1	C5	110.101	C5	O8	C12	120.720
H6	C5	H7	110.015	H6	C5	O8	109.005
H7	C5	O8	109.009	O8	C12	N9	116.268
O8	C12	O13	119.935	N9	C12	O13	123.797
H10	N9	H11	119.056	H10	N9	C12	124.347
H11	N9	C12	116.597

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/CEP-31G

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-31G

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)