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	hartrees
Energy at 0K	-207.849492
Energy at 298.15K
HF Energy	-207.849492
Nuclear repulsion energy	103.157812

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'	3185	3168	1.36	70.64	0.68	0.81
2	A'	3092	3075	3.28	163.31	0.13	0.23
3	A'	3070	3054	10.85	54.21	0.50	0.66
4	A'	1609	1601	1.47	36.50	0.08	0.15
5	A'	1455	1448	119.54	47.94	0.53	0.70
6	A'	1378	1370	28.43	27.39	0.44	0.61
7	A'	1248	1242	1.07	11.54	0.25	0.40
8	A'	1099	1093	76.75	23.84	0.41	0.59
9	A'	856	851	39.36	0.39	0.74	0.85
10	A'	590	587	1.02	11.70	0.14	0.25
11	A'	340	338	0.90	1.28	0.73	0.85
12	A"	965	960	57.02	1.80	0.75	0.86
13	A"	962	957	0.36	2.29	0.75	0.86
14	A"	647	644	0.53	1.31	0.75	0.86
15	A"	179	178	0.13	0.44	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.221	1.236
C2	0.000	0.655
N3	-0.039	-0.782
O4	-1.195	-1.248
H5	2.119	0.612
H6	1.343	2.321
H7	-0.960	1.187

	C1	C2	N3	O4	H5	H6	H7
C1		1.3526	2.3793	3.4652	1.0933	1.0917	2.1820
C2	1.3526		1.4374	2.2469	2.1197	2.1400	1.0975
N3	2.3793	1.4374		1.2457	2.5695	3.3968	2.1735
O4	3.4652	2.2469	1.2457		3.8001	4.3793	2.4464
H5	1.0933	2.1197	2.5695	3.8001		1.8767	3.1324
H6	1.0917	2.1400	3.3968	4.3793	1.8767		2.5672
H7	2.1820	1.0975	2.1735	2.4464	3.1324	2.5672

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.004	C1	C2	H7	125.566
C2	C1	H5	119.763	C2	C1	H6	121.847
C2	N3	O4	113.549	N3	C2	H7	117.429
H5	C1	H6	118.390

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: BLYP/6-31+G**

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	-0.107
3	N	-0.155
4	O	-0.054
5	H	0.168
6	H	0.153
7	H	0.148

	x	y	z	Total
	1.576	3.231	0.000	3.595
CHELPG
AIM
ESP

	x	y	z
x	7.668	2.324	0.000
y	2.324	7.353	0.000
z	0.000	0.000	3.413

<r²>	78.146
(<r²>)^1/2	8.840

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)