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	hartrees
Energy at 0K	-207.616008
Energy at 298.15K
HF Energy	-206.839406
Nuclear repulsion energy	103.305522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3161	3039
2	A'	3054	2936
3	A'	2312	2223
4	A'	1511	1453
5	A'	1474	1418
6	A'	1420	1365
7	A'	1162	1117
8	A'	886	852
9	A'	629	605
10	A'	191	184
11	A"	3128	3008
12	A"	1518	1460
13	A"	1138	1095
14	A"	568	546
15	A"	73	70

Atom	x (Å)	y (Å)	z (Å)
C1	1.402	1.012	0.000
N2	0.000	0.632	0.000
C3	-0.578	-0.443	0.000
O4	-1.278	-1.400	0.000
H5	1.463	2.102	0.000
H6	1.910	0.630	0.893
H7	1.910	0.630	-0.893

	C1	N2	C3	O4	H5	H6	H7
C1		1.4520	2.4561	3.6050	1.0924	1.0961	1.0961
N2	1.4520		1.2204	2.4006	2.0738	2.1083	2.1083
C3	2.4561	1.2204		1.1860	3.2620	2.8523	2.8523
O4	3.6050	2.4006	1.1860		4.4472	3.8833	3.8833
H5	1.0924	2.0738	3.2620	4.4472		1.7792	1.7792
H6	1.0961	2.1083	2.8523	3.8833	1.7792		1.7856
H7	1.0961	2.1083	2.8523	3.8833	1.7792	1.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	133.402	N2	C1	H5	108.360
N2	C1	H6	110.899	N2	C1	H7	110.899
N2	C3	O4	172.058	H5	C1	H6	108.774
H5	C1	H7	108.774	H6	C1	H7	109.082

All results from a given calculation for CH₃NCO (methylisocyante)

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 CH3NCO (methylisocyante)

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

States and conformations

All results from a given calculation for CH₃NCO (methylisocyante)