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	hartrees
Energy at 0K	-192.780247
Energy at 298.15K	-192.786627
HF Energy	-192.000567
Nuclear repulsion energy	118.043814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3145	3024
2	A'	3063	2945
3	A'	3036	2919
4	A'	2898	2786
5	A'	1751	1683
6	A'	1511	1453
7	A'	1468	1412
8	A'	1434	1379
9	A'	1410	1356
10	A'	1375	1322
11	A'	1126	1082
12	A'	1008	969
13	A'	866	833
14	A'	668	642
15	A'	261	251
16	A"	3147	3026
17	A"	3073	2954
18	A"	1509	1450
19	A"	1287	1238
20	A"	1148	1104
21	A"	903	868
22	A"	678	652
23	A"	248	239
24	A"	142	136

Atom	x (Å)	y (Å)	z (Å)
C1	1.451	0.449	0.000
C2	0.000	0.925	0.000
C3	-1.003	-0.213	0.000
O4	-0.703	-1.393	0.000
H5	2.139	1.302	0.000
H6	1.654	-0.166	0.883
H7	1.654	-0.166	-0.883
H8	-0.222	1.552	0.877
H9	-0.222	1.552	-0.877
H10	-2.072	0.103	0.000

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5274	2.5419	2.8345	1.0956	1.0951	1.0951	2.1876	2.1876	3.5405
C2	1.5274		1.5168	2.4220	2.1718	2.1695	2.1695	1.1012	1.1012	2.2292
C3	2.5419	1.5168		1.2171	3.4879	2.8003	2.8003	2.1208	2.1208	1.1152
O4	2.8345	2.4220	1.2171		3.9166	2.8004	2.8004	3.1107	3.1107	2.0277
H5	1.0956	2.1718	3.4879	3.9166		1.7805	1.7805	2.5304	2.5304	4.3784
H6	1.0951	2.1695	2.8003	2.8004	1.7805		1.7657	2.5441	3.0937	3.8392
H7	1.0951	2.1695	2.8003	2.8004	1.7805	1.7657		3.0937	2.5441	3.8392
H8	2.1876	1.1012	2.1208	3.1107	2.5304	2.5441	3.0937		1.7547	2.5092
H9	2.1876	1.1012	2.1208	3.1107	2.5304	3.0937	2.5441	1.7547		2.5092
H10	3.5405	2.2292	1.1152	2.0277	4.3784	3.8392	3.8392	2.5092	2.5092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	113.231	C1	C2	H8	111.633
C1	C2	H9	111.633	C2	C1	H5	110.704
C2	C1	H6	110.559	C2	C1	H7	110.559
C2	C3	O4	124.368	C2	C3	H10	114.913
C3	C2	H8	107.137	C3	C2	H9	107.137
O4	C3	H10	120.719	H5	C1	H6	108.737
H5	C1	H7	108.737	H6	C1	H7	107.456
H8	C2	H9	105.635

All results from a given calculation for CH₃CH₂CHO (Propanal)

using model chemistry: MP4=FULL/6-311G**

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 CH3CH2CHO (Propanal)

using model chemistry: MP4=FULL/6-311G**

States and conformations

All results from a given calculation for CH₃CH₂CHO (Propanal)