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	hartrees
Energy at 0K	-286.033977
Energy at 298.15K	-286.041742
HF Energy	-284.943012
Nuclear repulsion energy	216.452578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3030	12.84
2	A'	3093	2943	10.52
3	A'	3038	2891	36.99
4	A'	3030	2883	30.98
5	A'	2215	2107	6.49
6	A'	1540	1466	3.82
7	A'	1517	1443	0.77
8	A'	1512	1438	4.53
9	A'	1454	1384	8.62
10	A'	1415	1346	14.12
11	A'	1386	1319	46.25
12	A'	1173	1116	196.18
13	A'	1157	1101	16.99
14	A'	1068	1016	20.00
15	A'	965	918	5.97
16	A'	909	865	6.15
17	A'	550	524	0.91
18	A'	423	402	0.87
19	A'	297	282	2.06
20	A'	132	125	3.31
21	A"	3192	3037	13.88
22	A"	3081	2931	0.11
23	A"	3073	2924	51.45
24	A"	1499	1427	6.62
25	A"	1313	1249	2.71
26	A"	1273	1211	3.04
27	A"	1192	1135	5.73
28	A"	1040	990	1.51
29	A"	827	787	0.50
30	A"	355	338	1.29
31	A"	251	238	0.28
32	A"	114	108	6.01
33	A"	78	74	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.956	2.521	0.000
C2	-1.241	1.039	0.000
O3	0.000	0.358	0.000
C4	-0.179	-1.027	0.000
C5	1.138	-1.673	0.000
N6	2.169	-2.209	0.000
H7	-1.889	3.079	0.000
H8	-0.384	2.793	0.883
H9	-0.384	2.793	-0.883
H10	-1.822	0.756	-0.885
H11	-1.822	0.756	0.885
H12	-0.727	-1.368	-0.885
H13	-0.727	-1.368	0.885

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5089	2.3642	3.6320	4.6871	5.6685	1.0881	1.0871	1.0871	2.1559	2.1559	3.9951	3.9951
C2	1.5089		1.4155	2.3233	3.6073	4.7093	2.1410	2.1431	2.1431	1.0958	1.0958	2.6159	2.6159
O3	2.3642	1.4155		1.3970	2.3281	3.3607	3.3129	2.6185	2.6185	2.0643	2.0643	2.0722	2.0722
C4	3.6320	2.3233	1.3970		1.4662	2.6286	4.4487	3.9266	3.9266	2.5813	2.5813	1.0958	1.0958
C5	4.6871	3.6073	2.3281	1.4662		1.1625	5.6346	4.8001	4.8001	3.9297	3.9297	2.0866	2.0866
N6	5.6685	4.7093	3.3607	2.6286	1.1625		6.6660	5.6846	5.6846	5.0500	5.0500	3.1432	3.1432
H7	1.0881	2.1410	3.3129	4.4487	5.6346	6.6660		1.7690	1.7690	2.4873	2.4873	4.6816	4.6816
H8	1.0871	2.1431	2.6185	3.9266	4.8001	5.6846	1.7690		1.7664	3.0572	2.4941	4.5348	4.1758
H9	1.0871	2.1431	2.6185	3.9266	4.8001	5.6846	1.7690	1.7664		2.4941	3.0572	4.1758	4.5348
H10	2.1559	1.0958	2.0643	2.5813	3.9297	5.0500	2.4873	3.0572	2.4941		1.7695	2.3898	2.9739
H11	2.1559	1.0958	2.0643	2.5813	3.9297	5.0500	2.4873	2.4941	3.0572	1.7695		2.9739	2.3898
H12	3.9951	2.6159	2.0722	1.0958	2.0866	3.1432	4.6816	4.5348	4.1758	2.3898	2.9739		1.7705
H13	3.9951	2.6159	2.0722	1.0958	2.0866	3.1432	4.6816	4.1758	4.5348	2.9739	2.3898	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.846	C1	C2	H10	110.731
C1	C2	H11	110.731	C2	C1	H7	110.006
C2	C1	H8	110.229	C2	C1	H9	110.229
C2	O3	C4	111.387	O3	C2	H10	109.922
O3	C2	H11	109.922	O3	C4	C5	108.771
O3	C4	H12	111.889	O3	C4	H13	111.889
C4	C5	N6	178.700	C5	C4	H12	108.194
C5	C4	H13	108.194	H7	C1	H8	108.837
H7	C1	H9	108.837	H8	C1	H9	108.664
H10	C2	H11	107.696	H12	C4	H13	107.775

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP2/Def2TZVPP

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 C4H7NO (Ethoxyacetonitrile)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)