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	hartrees
Energy at 0K	-207.807536
Energy at 298.15K
HF Energy	-207.554263
Nuclear repulsion energy	104.654552

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'	3274	3147	0.24	57.09	0.67	0.80
2	A'	3185	3061	4.18	169.00	0.13	0.22
3	A'	3169	3046	1.72	20.59	0.36	0.53
4	A'	1668	1603	2.01	49.81	0.11	0.21
5	A'	1506	1448	101.70	61.23	0.42	0.59
6	A'	1425	1369	26.65	28.46	0.36	0.53
7	A'	1292	1241	1.74	9.09	0.22	0.36
8	A'	1149	1104	80.38	31.71	0.40	0.57
9	A'	900	865	31.31	0.70	0.75	0.85
10	A'	613	589	1.22	9.79	0.11	0.19
11	A'	352	339	1.10	0.63	0.67	0.81
12	A"	1009	969	24.13	3.69	0.75	0.86
13	A"	1005	966	30.24	0.27	0.75	0.86
14	A"	688	661	0.98	0.51	0.75	0.86
15	A"	178	171	0.08	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.205	1.218
C2	0.000	0.648
N3	-0.042	-0.773
O4	-1.176	-1.230
H5	2.089	0.595
H6	1.327	2.290
H7	-0.949	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3333	2.3497	3.4148	1.0806	1.0789	2.1545
C2	1.3333		1.4222	2.2156	2.0894	2.1108	1.0836
N3	2.3497	1.4222		1.2223	2.5325	3.3552	2.1463
O4	3.4148	2.2156	1.2223		3.7402	4.3186	2.4124
H5	1.0806	2.0894	2.5325	3.7402		1.8580	3.0916
H6	1.0789	2.1108	3.3552	4.3186	1.8580		2.5351
H7	2.1545	1.0836	2.1463	2.4124	3.0916	2.5351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.982	C1	C2	H7	125.797
C2	C1	H5	119.538	C2	C1	H6	121.746
C2	N3	O4	113.604	N3	C2	H7	117.221
H5	C1	H6	118.717

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/aug-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	-0.738
2	C	-0.158
3	N	-0.081
4	O	-0.359
5	H	0.435
6	H	0.341
7	H	0.561

	x	y	z	Total
	1.404	2.962	0.000	3.278
CHELPG
AIM
ESP

	x	y	z
x	7.365	2.076	0.001
y	2.076	7.143	0.002
z	0.001	0.002	3.905

<r²>	76.222
(<r²>)^1/2	8.730

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)