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	hartrees
Energy at 0K	-322.792701
Energy at 298.15K	-322.802027
HF Energy	-321.868670
Nuclear repulsion energy	246.489713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3518	36.59
2	A	3640	3416	32.10
3	A	3212	3015	17.99
4	A	3199	3003	17.60
5	A	3149	2955	18.90
6	A	3117	2926	11.25
7	A	3076	2887	38.59
8	A	1933	1815	527.36
9	A	1697	1592	136.78
10	A	1589	1491	1.66
11	A	1559	1464	3.49
12	A	1544	1449	5.81
13	A	1492	1400	8.30
14	A	1459	1369	62.60
15	A	1409	1322	347.66
16	A	1348	1265	1.13
17	A	1223	1148	5.63
18	A	1202	1128	33.20
19	A	1165	1094	125.89
20	A	1146	1076	9.03
21	A	1029	966	13.62
22	A	894	839	18.84
23	A	861	809	0.41
24	A	797	748	71.24
25	A	614	576	177.34
26	A	585	549	21.35
27	A	568	533	2.83
28	A	443	416	80.82
29	A	393	369	5.00
30	A	274	257	1.04
31	A	228	214	1.54
32	A	104	98	1.05
33	A	98	92	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	2.546	-0.249	0.062
H2	2.700	-0.824	-0.855
H3	3.367	0.465	0.173
H4	2.558	-0.938	0.910
C5	1.222	0.484	0.005
H6	1.041	1.054	0.922
H7	1.207	1.178	-0.847
O8	0.203	-0.513	-0.156
N9	-1.389	1.162	0.087
H10	-0.810	1.818	-0.417
H11	-2.380	1.344	0.012
C12	-1.105	-0.188	-0.017
O13	-1.945	-1.051	0.054

	C1	H2	H3	H4	C5	H6	H7	O8	N9	H10	H11	C12	O13
C1		1.0925	1.0942	1.0923	1.5152	2.1695	2.1576	2.3678	4.1805	3.9700	5.1781	3.6528	4.5617
H2	1.0925		1.7783	1.7738	2.1533	3.0722	2.4969	2.6116	4.6423	4.4142	5.5913	3.9480	4.7382
H3	1.0942	1.7783		1.7789	2.1525	2.5145	2.4933	3.3284	4.8080	4.4300	5.8170	4.5242	5.5255
H4	1.0923	1.7738	1.7789		2.1512	2.5045	3.0640	2.6198	4.5461	4.5490	5.5141	3.8528	4.5849
C5	1.5152	2.1533	2.1525	2.1512		1.0947	1.0988	1.4347	2.6983	2.4659	3.7032	2.4223	3.5193
H6	2.1695	3.0722	2.5145	2.5045	1.0947		1.7815	2.0785	2.5713	2.4079	3.5519	2.6517	3.7549
H7	2.1576	2.4969	2.4933	3.0640	1.0988	1.7815		2.0844	2.7591	2.1590	3.6927	2.8109	3.9641
O8	2.3678	2.6116	3.3284	2.6198	1.4347	2.0785	2.0844		2.3236	2.5543	3.1862	1.3552	2.2240
N9	4.1805	4.6423	4.8080	4.5461	2.6983	2.5713	2.7591	2.3236		1.0096	1.0109	1.3835	2.2823
H10	3.9700	4.4142	4.4300	4.5490	2.4659	2.4079	2.1590	2.5543	1.0096		1.6957	2.0661	3.1209
H11	5.1781	5.5913	5.8170	5.5141	3.7032	3.5519	3.6927	3.1862	1.0109	1.6957		1.9936	2.4353
C12	3.6528	3.9480	4.5242	3.8528	2.4223	2.6517	2.8109	1.3552	1.3835	2.0661	1.9936		1.2062
O13	4.5617	4.7382	5.5255	4.5849	3.5193	3.7549	3.9641	2.2240	2.2823	3.1209	2.4353	1.2062

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	111.433	C1	C5	H7	110.243
C1	C5	O8	106.743	H2	C1	H3	108.833
H2	C1	H4	108.558	H2	C1	C5	110.277
H3	C1	H4	108.895	H3	C1	C5	110.115
H4	C1	C5	110.121	C5	O8	C12	120.481
H6	C5	H7	108.610	H6	C5	O8	109.788
H7	C5	O8	110.014	O8	C12	N9	116.081
O8	C12	O13	120.405	N9	C12	O13	123.463
H10	N9	H11	114.117	H10	N9	C12	118.562
H11	N9	C12	111.798

All results from a given calculation for NH₂COOC₂H₅ (Urethane)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for NH₂COOC₂H₅ (Urethane)