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	hartrees
Energy at 0K	-207.826803
Energy at 298.15K
HF Energy	-207.826803
Nuclear repulsion energy	104.793746

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'	3292	3292	0.03	59.82	0.66	0.80
2	A'	3201	3201	2.75	146.29	0.16	0.28
3	A'	3179	3179	0.09	40.36	0.11	0.20
4	A'	1732	1732	38.00	10.82	0.01	0.03
5	A'	1691	1691	108.26	131.90	0.28	0.43
6	A'	1408	1408	23.08	21.28	0.36	0.53
7	A'	1281	1281	2.73	6.41	0.27	0.42
8	A'	1158	1158	69.24	27.03	0.45	0.62
9	A'	900	900	25.20	0.58	0.70	0.82
10	A'	623	623	1.75	8.19	0.10	0.19
11	A'	357	357	1.17	0.50	0.67	0.80
12	A"	1045	1045	19.94	3.18	0.75	0.86
13	A"	1012	1012	40.15	0.18	0.75	0.86
14	A"	690	690	1.75	0.99	0.75	0.86
15	A"	177	177	0.07	0.31	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.213	1.208
C2	0.000	0.653
N3	-0.052	-0.781
O4	-1.175	-1.217
H5	2.093	0.568
H6	1.348	2.287
H7	-0.954	1.182

	C1	C2	N3	O4	H5	H6	H7
C1		1.3335	2.3571	3.4032	1.0888	1.0870	2.1669
C2	1.3335		1.4352	2.2086	2.0947	2.1180	1.0913
N3	2.3571	1.4352		1.2050	2.5335	3.3721	2.1612
O4	3.4032	2.2086	1.2050		3.7235	4.3176	2.4096
H5	1.0888	2.0947	2.5335	3.7235		1.8736	3.1086
H6	1.0870	2.1180	3.3721	4.3176	1.8736		2.5533
H7	2.1669	1.0913	2.1612	2.4096	3.1086	2.5533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	116.662	C1	C2	H7	126.381
C2	C1	H5	119.362	C2	C1	H6	121.756
C2	N3	O4	113.265	N3	C2	H7	116.957
H5	C1	H6	118.883

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: M06-2X/daug-cc-pVDZ

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	0.371
2	C	2.164
3	N	0.258
4	O	-0.210
5	H	-0.784
6	H	-0.858
7	H	-0.940

	x	y	z	Total
	1.343	2.822	0.000	3.126
CHELPG
AIM
ESP

	x	y	z
x	7.277	1.976	0.000
y	1.976	6.853	0.000
z	0.000	0.000	3.852

<r²>	76.011
(<r²>)^1/2	8.718

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: M06-2X/daug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)