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	hartrees
Energy at 0K	-207.982960
Energy at 298.15K
HF Energy	-207.982960
Nuclear repulsion energy	104.669854

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	0.99	61.84	0.68	0.81
2	A'	3152	3152	4.81	182.04	0.11	0.20
3	A'	3135	3135	5.71	23.18	0.75	0.86
4	A'	1666	1666	1.81	37.51	0.08	0.14
5	A'	1551	1551	129.43	65.50	0.44	0.61
6	A'	1422	1422	24.25	25.81	0.36	0.53
7	A'	1287	1287	1.45	9.59	0.23	0.38
8	A'	1138	1138	80.17	27.07	0.39	0.56
9	A'	886	886	34.03	0.33	0.71	0.83
10	A'	603	603	1.11	10.60	0.11	0.19
11	A'	338	338	1.01	0.88	0.69	0.82
12	A"	1013	1013	28.52	3.37	0.75	0.86
13	A"	1006	1006	24.58	0.45	0.75	0.86
14	A"	678	678	0.75	0.62	0.75	0.86
15	A"	179	179	0.10	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.210	1.212
C2	0.000	0.651
N3	-0.047	-0.773
O4	-1.177	-1.227
H5	2.091	0.583
H6	1.344	2.285
H7	-0.947	1.183

	C1	C2	N3	O4	H5	H6	H7
C1		1.3338	2.3496	3.4132	1.0830	1.0814	2.1567
C2	1.3338		1.4243	2.2166	2.0924	2.1160	1.0862
N3	2.3496	1.4243		1.2179	2.5320	3.3596	2.1530
O4	3.4132	2.2166	1.2179		3.7363	4.3238	2.4218
H5	1.0830	2.0924	2.5320	3.7363		1.8592	3.0967
H6	1.0814	2.1160	3.3596	4.3238	1.8592		2.5418
H7	2.1567	1.0862	2.1530	2.4218	3.0967	2.5418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.794	C1	C2	H7	125.746
C2	C1	H5	119.583	C2	C1	H6	122.013
C2	N3	O4	113.823	N3	C2	H7	117.459
H5	C1	H6	118.404

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: TPSSh/aug-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	-1.099
2	C	-0.375
3	N	0.040
4	O	-0.361
5	H	0.556
6	H	0.536
7	H	0.701

	x	y	z	Total
	1.460	2.993	0.000	3.330
CHELPG
AIM
ESP

	x	y	z
x	7.494	2.075	0.000
y	2.075	7.256	0.000
z	0.000	0.000	3.887

<r²>	76.066
(<r²>)^1/2	8.722

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)