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	hartrees
Energy at 0K	-206.654485
Energy at 298.15K
HF Energy	-206.654485
Nuclear repulsion energy	103.149938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3296	3130	0.45	55.20	0.66	0.79
2	A'	3218	3055	3.87	111.40	0.23	0.37
3	A'	3196	3035	0.23	36.31	0.12	0.22
4	A'	1702	1616	2.94	30.92	0.16	0.28
5	A'	1466	1392	15.73	17.95	0.40	0.57
6	A'	1371	1302	41.69	33.60	0.29	0.44
7	A'	1302	1236	1.29	7.93	0.51	0.68
8	A'	1132	1075	37.31	24.24	0.51	0.68
9	A'	868	824	45.54	1.87	0.60	0.75
10	A'	606	576	2.08	6.72	0.30	0.46
11	A'	334	317	0.97	0.35	0.67	0.80
12	A"	1044	991	15.35	3.07	0.75	0.86
13	A"	1036	984	69.36	0.05	0.75	0.86
14	A"	688	654	1.94	9.89	0.75	0.86
15	A"	192	182	0.23	1.60	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.179	1.265
C2	0.000	0.647
N3	0.001	-0.799
O4	-1.183	-1.254
H5	2.090	0.677
H6	1.262	2.344
H7	-0.968	1.137

	C1	C2	N3	O4	H5	H6	H7
C1		1.3307	2.3759	3.4527	1.0845	1.0824	2.1499
C2	1.3307		1.4459	2.2389	2.0904	2.1151	1.0846
N3	2.3759	1.4459		1.2689	2.5579	3.3865	2.1650
O4	3.4527	2.2389	1.2689		3.8006	4.3503	2.4005
H5	1.0845	2.0904	2.5579	3.8006		1.8608	3.0921
H6	1.0824	2.1151	3.3865	4.3503	1.8608		2.5356
H7	2.1499	1.0846	2.1650	2.4005	3.0921	2.5356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.614	C1	C2	H7	125.462
C2	C1	H5	119.537	C2	C1	H6	122.115
C2	N3	O4	110.943	N3	C2	H7	116.923
H5	C1	H6	118.348

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/3-21G*

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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Number	Element	Mulliken
1	C	-0.397
2	C	-0.053
3	N	-0.041
4	O	-0.272
5	H	0.260
6	H	0.247
7	H	0.256

	x	y	z	Total
	1.295	2.972	0.000	3.242
CHELPG
AIM
ESP

	x	y	z
x	5.846	2.168	0.000
y	2.168	5.390	0.000
z	0.000	0.000	1.443

<r²>	77.126
(<r²>)^1/2	8.782

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)