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	hartrees
Energy at 0K	-285.729334
Energy at 298.15K	-285.737195
HF Energy	-284.830547
Nuclear repulsion energy	216.204590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3002	18.31
2	A'	3117	2925	11.09
3	A'	3061	2873	31.94
4	A'	3051	2863	28.01
5	A'	2466	2313	0.38
6	A'	1595	1497	2.67
7	A'	1568	1471	3.09
8	A'	1560	1464	4.70
9	A'	1505	1412	10.94
10	A'	1466	1376	18.04
11	A'	1432	1344	64.36
12	A'	1221	1146	174.99
13	A'	1195	1122	21.22
14	A'	1097	1029	16.77
15	A'	992	930	11.88
16	A'	937	880	3.61
17	A'	567	532	1.10
18	A'	436	409	1.19
19	A'	307	288	2.45
20	A'	136	127	3.38
21	A"	3209	3011	18.22
22	A"	3098	2907	8.75
23	A"	3089	2898	61.25
24	A"	1545	1449	5.96
25	A"	1341	1258	2.17
26	A"	1300	1219	3.22
27	A"	1231	1155	7.31
28	A"	1070	1004	1.69
29	A"	852	800	0.50
30	A"	373	350	2.04
31	A"	264	247	0.48
32	A"	113	106	7.30
33	A"	78	73	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.873	2.553	0.000
C2	-1.218	1.079	0.000
O3	0.000	0.353	0.000
C4	-0.213	-1.031	0.000
C5	1.098	-1.706	0.000
N6	2.110	-2.267	0.000
H7	-1.787	3.155	0.000
H8	-0.286	2.804	0.887
H9	-0.286	2.804	-0.887
H10	-1.814	0.819	-0.888
H11	-1.814	0.819	0.888
H12	-0.772	-1.363	-0.888
H13	-0.772	-1.363	0.888

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5139	2.3676	3.6447	4.6938	5.6691	1.0939	1.0927	1.0927	2.1639	2.1639	4.0174	4.0174
C2	1.5139		1.4183	2.3375	3.6226	4.7197	2.1520	2.1512	2.1512	1.1011	1.1011	2.6371	2.6371
O3	2.3676	1.4183		1.4000	2.3336	3.3640	3.3233	2.6220	2.6220	2.0734	2.0734	2.0807	2.0807
C4	3.6447	2.3375	1.4000		1.4743	2.6313	4.4719	3.9364	3.9364	2.6034	2.6034	1.1008	1.1008
C5	4.6938	3.6226	2.3336	1.4743		1.1573	5.6527	4.8003	4.8003	3.9558	3.9558	2.0980	2.0980
N6	5.6691	4.7197	3.3640	2.6313	1.1573		6.6772	5.6782	5.6782	5.0711	5.0711	3.1482	3.1482
H7	1.0939	2.1520	3.3233	4.4719	5.6527	6.6772		1.7783	1.7783	2.4989	2.4989	4.7150	4.7150
H8	1.0927	2.1512	2.6220	3.9364	4.8003	5.6782	1.7783		1.7743	3.0699	2.5044	4.5551	4.1948
H9	1.0927	2.1512	2.6220	3.9364	4.8003	5.6782	1.7783	1.7743		2.5044	3.0699	4.1948	4.5551
H10	2.1639	1.1011	2.0734	2.6034	3.9558	5.0711	2.4989	3.0699	2.5044		1.7768	2.4187	3.0010
H11	2.1639	1.1011	2.0734	2.6034	3.9558	5.0711	2.4989	2.5044	3.0699	1.7768		3.0010	2.4187
H12	4.0174	2.6371	2.0807	1.1008	2.0980	3.1482	4.7150	4.5551	4.1948	2.4187	3.0010		1.7763
H13	4.0174	2.6371	2.0807	1.1008	2.0980	3.1482	4.7150	4.1948	4.5551	3.0010	2.4187	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.651	C1	C2	H10	110.694
C1	C2	H11	110.694	C2	C1	H7	110.178
C2	C1	H8	110.188	C2	C1	H9	110.188
C2	O3	C4	112.075	O3	C2	H10	110.127
O3	C2	H11	110.127	O3	C4	C5	108.533
O3	C4	H12	112.057	O3	C4	H13	112.057
C4	C5	N6	178.299	C5	C4	H12	108.244
C5	C4	H13	108.244	H7	C1	H8	108.837
H7	C1	H9	108.837	H8	C1	H9	108.570
H10	C2	H11	107.565	H12	C4	H13	107.575

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)