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	hartrees
Energy at 0K	-285.704243
Energy at 298.15K	-285.712073
HF Energy	-284.830320
Nuclear repulsion energy	215.996829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3002	18.49
2	A'	3117	2925	11.21
3	A'	3062	2874	31.65
4	A'	3051	2864	28.28
5	A'	2460	2309	0.41
6	A'	1595	1497	2.55
7	A'	1567	1471	3.12
8	A'	1560	1464	4.68
9	A'	1504	1411	11.14
10	A'	1464	1374	17.26
11	A'	1430	1342	65.50
12	A'	1218	1143	174.97
13	A'	1194	1121	21.29
14	A'	1095	1028	16.78
15	A'	989	929	12.06
16	A'	936	878	3.63
17	A'	562	528	1.00
18	A'	434	408	1.20
19	A'	304	285	2.41
20	A'	134	126	3.42
21	A"	3208	3011	18.43
22	A"	3098	2908	9.28
23	A"	3089	2899	60.79
24	A"	1544	1449	5.89
25	A"	1339	1257	2.07
26	A"	1296	1217	3.28
27	A"	1230	1155	7.25
28	A"	1069	1003	1.72
29	A"	851	799	0.49
30	A"	363	341	2.03
31	A"	263	247	0.47
32	A"	112	105	7.28
33	A"	76	71	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.943	2.536	0.000
C2	-1.245	1.051	0.000
O3	0.000	0.358	0.000
C4	-0.186	-1.037	0.000
C5	1.139	-1.684	0.000
N6	2.163	-2.225	0.000
H7	-1.872	3.112	0.000
H8	-0.363	2.802	0.887
H9	-0.363	2.802	-0.887
H10	-1.829	0.768	-0.889
H11	-1.829	0.768	0.889
H12	-0.740	-1.373	-0.889
H13	-0.740	-1.373	0.889

	C1	C2	O3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13
C1		1.5148	2.3729	3.6520	4.7051	5.6840	1.0940	1.0926	1.0926	2.1680	2.1680	4.0139	4.0139
C2	1.5148		1.4249	2.3416	3.6282	4.7274	2.1543	2.1516	2.1516	1.1007	1.1007	2.6312	2.6312
O3	2.3729	1.4249		1.4075	2.3381	3.3691	3.3303	2.6252	2.6252	2.0746	2.0746	2.0822	2.0822
C4	3.6520	2.3416	1.4075		1.4742	2.6323	4.4790	3.9443	3.9443	2.5979	2.5979	1.1001	1.1001
C5	4.7051	3.6282	2.3381	1.4742		1.1584	5.6631	4.8132	4.8132	3.9512	3.9512	2.1018	2.1018
N6	5.6840	4.7274	3.3691	2.6323	1.1584		6.6910	5.6954	5.6954	5.0683	5.0683	3.1537	3.1537
H7	1.0940	2.1543	3.3303	4.4790	5.6631	6.6910		1.7781	1.7781	2.5073	2.5073	4.7108	4.7108
H8	1.0926	2.1516	2.6252	3.9443	4.8132	5.6954	1.7781		1.7741	3.0725	2.5075	4.5530	4.1925
H9	1.0926	2.1516	2.6252	3.9443	4.8132	5.6954	1.7781	1.7741		2.5075	3.0725	4.1925	4.5530
H10	2.1680	1.1007	2.0746	2.5979	3.9512	5.0683	2.5073	3.0725	2.5075		1.7771	2.4024	2.9882
H11	2.1680	1.1007	2.0746	2.5979	3.9512	5.0683	2.5073	2.5075	3.0725	1.7771		2.9882	2.4024
H12	4.0139	2.6312	2.0822	1.1001	2.1018	3.1537	4.7108	4.5530	4.1925	2.4024	2.9882		1.7770
H13	4.0139	2.6312	2.0822	1.1001	2.1018	3.1537	4.7108	4.1925	4.5530	2.9882	2.4024	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.608	C1	C2	H10	110.989
C1	C2	H11	110.989	C2	C1	H7	110.291
C2	C1	H8	110.167	C2	C1	H9	110.167
C2	O3	C4	111.531	O3	C2	H10	109.798
O3	C2	H11	109.798	O3	C4	C5	108.442
O3	C4	H12	111.691	O3	C4	H13	111.691
C4	C5	N6	178.200	C5	C4	H12	108.596
C5	C4	H13	108.596	H7	C1	H8	108.810
H7	C1	H9	108.810	H8	C1	H9	108.553
H10	C2	H11	107.663	H12	C4	H13	107.739

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)

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 C4H7NO (Ethoxyacetonitrile)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₇NO (Ethoxyacetonitrile)