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	hartrees
Energy at 0K	-207.969024
Energy at 298.15K
HF Energy	-207.969024
Nuclear repulsion energy	104.617718

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'	3242	3242	0.92	61.99	0.67	0.81
2	A'	3153	3153	4.69	182.25	0.11	0.20
3	A'	3135	3135	5.49	23.02	0.75	0.86
4	A'	1666	1666	1.67	38.81	0.08	0.15
5	A'	1546	1546	128.58	64.42	0.45	0.62
6	A'	1421	1421	24.76	26.07	0.36	0.53
7	A'	1285	1285	1.58	9.37	0.23	0.38
8	A'	1136	1136	80.16	27.25	0.38	0.55
9	A'	885	885	34.10	0.31	0.72	0.84
10	A'	602	602	1.09	10.65	0.10	0.19
11	A'	337	337	1.02	0.89	0.70	0.82
12	A"	1012	1012	30.44	3.29	0.75	0.86
13	A"	1006	1006	22.94	0.52	0.75	0.86
14	A"	678	678	0.76	0.64	0.75	0.86
15	A"	180	180	0.10	0.27	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.210	1.213
C2	0.000	0.651
N3	-0.047	-0.773
O4	-1.178	-1.228
H5	2.092	0.583
H6	1.344	2.286
H7	-0.947	1.184

	C1	C2	N3	O4	H5	H6	H7
C1		1.3342	2.3502	3.4144	1.0837	1.0821	2.1579
C2	1.3342		1.4250	2.2175	2.0932	2.1169	1.0868
N3	2.3502	1.4250		1.2189	2.5324	3.3609	2.1540
O4	3.4144	2.2175	1.2189		3.7376	4.3256	2.4223
H5	1.0837	2.0932	2.5324	3.7376		1.8605	3.0983
H6	1.0821	2.1169	3.3609	4.3256	1.8605		2.5433
H7	2.1579	1.0868	2.1540	2.4223	3.0983	2.5433

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.772	C1	C2	H7	125.777
C2	C1	H5	119.571	C2	C1	H6	122.006
C2	N3	O4	113.783	N3	C2	H7	117.451
H5	C1	H6	118.423

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/daug-cc-pVTZ

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	-0.521
2	C	0.420
3	N	-0.397
4	O	-0.880
5	H	0.329
6	H	0.043
7	H	1.005

	x	y	z	Total
	1.461	2.993	0.000	3.330
CHELPG
AIM
ESP

	x	y	z
x	7.514	2.074	0.000
y	2.074	7.270	0.000
z	0.000	0.000	3.895

<r²>	76.120
(<r²>)^1/2	8.725

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)