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	hartrees
Energy at 0K	-207.808368
Energy at 298.15K
HF Energy	-207.554623
Nuclear repulsion energy	104.655338

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	3274	0.23	56.89	0.67	0.80
2	A'	3184	3184	4.13	169.47	0.12	0.22
3	A'	3169	3169	1.80	19.85	0.39	0.56
4	A'	1668	1668	2.01	49.90	0.11	0.20
5	A'	1507	1507	101.33	60.76	0.41	0.59
6	A'	1425	1425	26.58	28.45	0.35	0.52
7	A'	1292	1292	1.73	9.18	0.22	0.36
8	A'	1149	1149	80.49	31.73	0.40	0.57
9	A'	900	900	31.34	0.66	0.75	0.86
10	A'	613	613	1.20	9.96	0.10	0.19
11	A'	352	352	1.10	0.62	0.69	0.81
12	A"	1010	1010	8.40	3.79	0.75	0.86
13	A"	1007	1007	45.77	0.23	0.75	0.86
14	A"	689	689	0.99	0.55	0.75	0.86
15	A"	179	179	0.08	0.26	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.206	1.217
C2	0.000	0.648
N3	-0.042	-0.773
O4	-1.176	-1.230
H5	2.089	0.595
H6	1.328	2.290
H7	-0.948	1.172

	C1	C2	N3	O4	H5	H6	H7
C1		1.3333	2.3496	3.4147	1.0806	1.0790	2.1547
C2	1.3333		1.4223	2.2158	2.0894	2.1109	1.0837
N3	2.3496	1.4223		1.2221	2.5321	3.3552	2.1466
O4	3.4147	2.2158	1.2221		3.7397	4.3188	2.4129
H5	1.0806	2.0894	2.5321	3.7397		1.8581	3.0917
H6	1.0790	2.1109	3.3552	4.3188	1.8581		2.5353
H7	2.1547	1.0837	2.1466	2.4129	3.0917	2.5353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.965	C1	C2	H7	125.806
C2	C1	H5	119.529	C2	C1	H6	121.750
C2	N3	O4	113.620	N3	C2	H7	117.229
H5	C1	H6	118.721

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: B2PLYP/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	-1.147
2	C	-0.065
3	N	-0.405
4	O	-0.669
5	H	0.547
6	H	0.438
7	H	1.302

	x	y	z	Total
	1.402	2.958	0.000	3.274
CHELPG
AIM
ESP

	x	y	z
x	7.386	2.061	0.001
y	2.061	7.161	0.001
z	0.001	0.001	3.935

<r²>	76.217
(<r²>)^1/2	8.730

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: B2PLYP/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)