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	hartrees
Energy at 0K	-169.378885
Energy at 298.15K	-169.382578
HF Energy	-168.853360
Nuclear repulsion energy	69.793246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3097	8.15
2	A'	3064	2970	2.57
3	A'	1531	1484	18.89
4	A'	1449	1404	22.23
5	A'	1369	1326	22.12
6	A'	1157	1122	14.10
7	A'	898	870	15.47
8	A'	576	558	1.78
9	A"	3175	3077	2.79
10	A"	1454	1409	11.17
11	A"	977	947	3.31
12	A"	152	147	1.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.959	-0.552	0.000
N2	0.000	0.577	0.000
O3	1.172	0.206	0.000
H4	-0.436	-1.519	0.000
H5	-1.595	-0.427	0.889
H6	-1.595	-0.427	-0.889

	C1	N2	O3	H4	H5	H6
C1		1.4816	2.2620	1.0992	1.1003	1.1003
N2	1.4816		1.2297	2.1409	2.0837	2.0837
O3	2.2620	1.2297		2.3580	2.9746	2.9746
H4	1.0992	2.1409	2.3580		1.8242	1.8242
H5	1.1003	2.0837	2.9746	1.8242		1.7778
H6	1.1003	2.0837	2.9746	1.8242	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.757	N2	C1	H4	111.240
N2	C1	H5	106.684	N2	C1	H6	106.684
H4	C1	H5	112.068	H4	C1	H6	112.068
H5	C1	H6	107.780

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

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 CH3NO (nitrosomethane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)