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	hartrees
Energy at 0K	-207.764372
Energy at 298.15K
HF Energy	-207.546389
Nuclear repulsion energy	104.526828

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'	3285	3135	0.50	57.51	0.68	0.81
2	A'	3193	3048	4.72	167.92	0.17	0.29
3	A'	3178	3033	2.04	19.03	0.42	0.59
4	A'	1676	1600	1.97	41.75	0.13	0.23
5	A'	1511	1442	95.77	50.65	0.36	0.53
6	A'	1433	1367	23.39	23.95	0.38	0.55
7	A'	1302	1243	1.09	9.71	0.33	0.50
8	A'	1153	1100	77.09	30.47	0.46	0.63
9	A'	899	858	35.33	0.82	0.75	0.86
10	A'	615	587	1.07	7.84	0.21	0.35
11	A'	355	339	1.49	0.60	0.72	0.84
12	A"	1006	960	40.20	0.33	0.75	0.86
13	A"	977	933	21.16	2.52	0.75	0.86
14	A"	683	652	1.00	3.65	0.75	0.86
15	A"	171	163	0.08	0.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.203	1.222
C2	0.000	0.649
N3	-0.040	-0.777
O4	-1.175	-1.233
H5	2.091	0.604
H6	1.322	2.296
H7	-0.950	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3330	2.3540	3.4183	1.0817	1.0801	2.1543
C2	1.3330		1.4260	2.2185	2.0914	2.1117	1.0849
N3	2.3540	1.4260		1.2235	2.5391	3.3607	2.1508
O4	3.4183	2.2185	1.2235		3.7472	4.3227	2.4152
H5	1.0817	2.0914	2.5391	3.7472		1.8585	3.0940
H6	1.0801	2.1117	3.3607	4.3227	1.8585		2.5349
H7	2.1543	1.0849	2.1508	2.4152	3.0940	2.5349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.084	C1	C2	H7	125.692
C2	C1	H5	119.663	C2	C1	H6	121.770
C2	N3	O4	113.494	N3	C2	H7	117.224
H5	C1	H6	118.567

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/TZVP

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	-0.154
2	C	-0.134
3	N	0.065
4	O	-0.162
5	H	0.134
6	H	0.134
7	H	0.117

	x	y	z	Total
	1.366	2.971	0.000	3.270
CHELPG
AIM
ESP

	x	y	z
x	6.863	2.219	0.001
y	2.219	6.388	0.001
z	0.001	0.001	2.995

<r²>	76.373
(<r²>)^1/2	8.739

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/TZVP

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)