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	hartrees
Energy at 0K	-322.383353
Energy at 298.15K	-322.392177
HF Energy	-321.768617
Nuclear repulsion energy	239.246027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3649	46.54
2	A	3628	3502	50.35
3	A	3164	3054	32.19
4	A	3140	3031	29.47
5	A	3092	2985	35.39
6	A	3038	2932	25.00
7	A	3023	2918	42.15
8	A	1719	1659	386.95
9	A	1673	1615	201.58
10	A	1553	1499	2.79
11	A	1541	1488	8.12
12	A	1522	1470	7.56
13	A	1465	1415	10.86
14	A	1426	1376	17.97
15	A	1313	1267	0.36
16	A	1298	1253	395.92
17	A	1179	1138	5.12
18	A	1150	1110	5.37
19	A	1080	1043	49.69
20	A	1051	1015	105.58
21	A	958	925	78.93
22	A	870	840	0.58
23	A	788	760	32.91
24	A	703	679	40.38
25	A	542	523	4.09
26	A	535	516	162.55
27	A	518	500	5.08
28	A	365	353	0.67
29	A	356	344	210.78
30	A	246	237	0.00
31	A	207	200	3.45
32	A	97	93	0.00
33	A	55	53	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.622	-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	1.131	-0.908
H7	-1.190	1.131	0.907
O8	-0.217	-0.538	-0.000
N9	1.437	1.189	0.000
H10	0.733	1.914	-0.000
H11	2.415	1.456	0.000
C12	1.157	-0.183	0.000
O13	2.037	-1.074	0.000

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.1016	1.1053	1.1016	1.5402	2.1989	2.1988	2.4201	4.3126	4.0025	5.3243	3.7799	4.7277
H2	1.1016		1.7962	1.7914	2.1804	3.1070	2.5302	2.6557	4.7138	4.5245	5.6958	4.0152	4.8134
H3	1.1053	1.7962		1.7962	2.1786	2.5479	2.5479	3.3962	4.9622	4.4520	5.9708	4.6676	5.7102
H4	1.1016	1.7914	1.7962		2.1804	2.5304	3.1070	2.6556	4.7140	4.5247	5.6960	4.0152	4.8133
C5	1.5402	2.1804	2.1786	2.1804		1.1065	1.1065	1.4984	2.8120	2.4654	3.8261	2.5432	3.6840
H6	2.1989	3.1070	2.5479	2.5304	1.1065		1.8147	2.1351	2.7799	2.2657	3.7320	2.8390	4.0126
H7	2.1988	2.5302	2.5479	3.1070	1.1065	1.8147		2.1351	2.7797	2.2654	3.7318	2.8389	4.0126
O8	2.4201	2.6557	3.3962	2.6556	1.4984	2.1351	2.1351		2.3912	2.6301	3.3023	1.4190	2.3164
N9	4.3126	4.7138	4.9622	4.7140	2.8120	2.7799	2.7797	2.3912		1.0112	1.0142	1.4000	2.3413
H10	4.0025	4.5245	4.4520	4.5247	2.4654	2.2657	2.2654	2.6301	1.0112		1.7441	2.1399	3.2609
H11	5.3243	5.6958	5.9708	5.6960	3.8261	3.7320	3.7318	3.3023	1.0142	1.7441		2.0662	2.5584
C12	3.7799	4.0152	4.6676	4.0152	2.5432	2.8390	2.8389	1.4190	1.4000	2.1399	2.0662		1.2524
O13	4.7277	4.8134	5.7102	4.8133	3.6840	4.0126	4.0126	2.3164	2.3413	3.2609	2.5584	1.2524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.306	C1	C5	H7	111.301
C1	C5	O8	105.581	H2	C1	H3	108.962
H2	C1	H4	108.806	H2	C1	C5	110.147
H3	C1	H4	108.962	H3	C1	C5	109.785
H4	C1	C5	110.148	C5	O8	C12	121.300
H6	C5	H7	110.167	H6	C5	O8	109.175
H7	C5	O8	109.177	O8	C12	N9	116.034
O8	C12	O13	120.122	N9	C12	O13	123.844
H10	N9	H11	118.879	H10	N9	C12	124.323
H11	N9	C12	116.799

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP2/SDD

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/SDD

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)