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	hartrees
Energy at 0K	-285.780031
Energy at 298.15K	-285.787773
HF Energy	-284.825780
Nuclear repulsion energy	215.148448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3037
2	A'	3075	2956
3	A'	3004	2888
4	A'	2998	2883
5	A'	2219	2134
6	A'	1576	1516
7	A'	1549	1489
8	A'	1545	1486
9	A'	1481	1424
10	A'	1446	1390
11	A'	1405	1351
12	A'	1180	1134
13	A'	1170	1125
14	A'	1069	1028
15	A'	966	929
16	A'	915	880
17	A'	546	525
18	A'	427	410
19	A'	297	286
20	A'	130	125
21	A"	3169	3047
22	A"	3042	2925
23	A"	3036	2920
24	A"	1530	1472
25	A"	1320	1269
26	A"	1273	1224
27	A"	1214	1168
28	A"	1054	1014
29	A"	842	810
30	A"	354	340
31	A"	260	250
32	A"	111	107
33	A"	71	69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.965	2.531	0.000
C2	-1.258	1.045	0.000
O3	0.000	0.362	0.000
C4	-0.181	-1.040	0.000
C5	1.148	-1.676	0.000
N6	2.195	-2.217	0.000
H7	-1.900	3.104	0.000
H8	-0.385	2.802	0.889
H9	-0.385	2.802	-0.889
H10	-1.841	0.753	-0.892
H11	-1.841	0.753	0.892
H12	-0.739	-1.379	-0.891
H13	-0.739	-1.379	0.891

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5151	2.3739	3.6561	4.7076	5.7035	1.0971	1.0955	1.0955	2.1733	2.1733	4.0166	4.0166
C2	1.5151		1.4311	2.3462	3.6317	4.7500	2.1574	2.1543	2.1543	1.1044	1.1044	2.6338	2.6338
O3	2.3739	1.4311		1.4139	2.3390	3.3869	3.3362	2.6254	2.6254	2.0825	2.0825	2.0909	2.0909
C4	3.6561	2.3462	1.4139		1.4737	2.6522	4.4866	3.9490	3.9490	2.6008	2.6008	1.1047	1.1047
C5	4.7076	3.6317	2.3390	1.4737		1.1789	5.6692	4.8159	4.8159	3.9533	3.9533	2.1081	2.1081
N6	5.7035	4.7500	3.3869	2.6522	1.1789		6.7148	5.7132	5.7132	5.0900	5.0900	3.1794	3.1794
H7	1.0971	2.1574	3.3362	4.4866	5.6692	6.7148		1.7826	1.7826	2.5150	2.5150	4.7159	4.7159
H8	1.0955	2.1543	2.6254	3.9490	4.8159	5.7132	1.7826		1.7785	3.0803	2.5133	4.5581	4.1959
H9	1.0955	2.1543	2.6254	3.9490	4.8159	5.7132	1.7826	1.7785		2.5133	3.0803	4.1959	4.5581
H10	2.1733	1.1044	2.0825	2.6008	3.9533	5.0900	2.5150	3.0803	2.5133		1.7830	2.3999	2.9897
H11	2.1733	1.1044	2.0825	2.6008	3.9533	5.0900	2.5150	2.5133	3.0803	1.7830		2.9897	2.3999
H12	4.0166	2.6338	2.0909	1.1047	2.1081	3.1794	4.7159	4.5581	4.1959	2.3999	2.9897		1.7828
H13	4.0166	2.6338	2.0909	1.1047	2.1081	3.1794	4.7159	4.1959	4.5581	2.9897	2.3999	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.330	C1	C2	H10	111.163
C1	C2	H11	111.163	C2	C1	H7	110.332
C2	C1	H8	110.185	C2	C1	H9	110.185
C2	O3	C4	111.110	O3	C2	H10	109.764
O3	C2	H11	109.764	O3	C4	C5	108.177
O3	C4	H12	111.647	O3	C4	H13	111.647
C4	C5	N6	178.225	C5	C4	H12	108.856
C5	C4	H13	108.856	H7	C1	H8	108.778
H7	C1	H9	108.778	H8	C1	H9	108.535
H10	C2	H11	107.660	H12	C4	H13	107.594

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP4=FULL/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 C4H7NO (Ethoxyacetonitrile)

using model chemistry: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)