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	hartrees
Energy at 0K	-207.981593
Energy at 298.15K
HF Energy	-207.981593
Nuclear repulsion energy	104.677718

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'	3241	3241	1.16	62.07	0.67	0.81
2	A'	3151	3151	5.03	181.16	0.13	0.22
3	A'	3135	3135	6.01	23.25	0.75	0.86
4	A'	1667	1667	1.91	30.34	0.10	0.18
5	A'	1555	1555	123.54	58.99	0.38	0.55
6	A'	1422	1422	23.45	23.24	0.40	0.57
7	A'	1288	1288	1.53	8.52	0.31	0.47
8	A'	1137	1137	77.49	25.21	0.42	0.59
9	A'	886	886	33.05	0.28	0.39	0.57
10	A'	603	603	1.05	8.87	0.17	0.29
11	A'	337	337	1.21	0.99	0.70	0.82
12	A"	1014	1014	34.40	2.17	0.75	0.86
13	A"	1009	1009	15.21	1.13	0.75	0.86
14	A"	680	680	0.76	1.97	0.75	0.86
15	A"	180	180	0.08	0.53	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.213
C2	0.000	0.651
N3	-0.047	-0.773
O4	-1.177	-1.227
H5	2.090	0.583
H6	1.344	2.286
H7	-0.947	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3335	2.3499	3.4126	1.0830	1.0814	2.1565
C2	1.3335		1.4248	2.2160	2.0913	2.1165	1.0861
N3	2.3499	1.4248		1.2177	2.5310	3.3603	2.1531
O4	3.4126	2.2160	1.2177		3.7348	4.3236	2.4205
H5	1.0830	2.0913	2.5310	3.7348		1.8592	3.0958
H6	1.0814	2.1165	3.3603	4.3236	1.8592		2.5427
H7	2.1565	1.0861	2.1531	2.4205	3.0958	2.5427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.812	C1	C2	H7	125.753
C2	C1	H5	119.503	C2	C1	H6	122.083
C2	N3	O4	113.757	N3	C2	H7	117.435
H5	C1	H6	118.414

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/cc-pVQZ

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	-0.332
2	C	-0.101
3	N	0.041
4	O	-0.205
5	H	0.198
6	H	0.230
7	H	0.169

	x	y	z	Total
	1.424	2.930	0.000	3.258
CHELPG
AIM
ESP

	x	y	z
x	7.158	2.109	0.000
y	2.109	6.860	0.000
z	0.000	0.000	3.369

<r²>	75.964
(<r²>)^1/2	8.716

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)