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	hartrees
Energy at 0K	-207.838635
Energy at 298.15K
HF Energy	-207.838635
Nuclear repulsion energy	104.800038

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'	3298	3160	0.13	63.23	0.70	0.82
2	A'	3193	3060	3.99	171.04	0.16	0.27
3	A'	3175	3042	3.41	17.14	0.68	0.81
4	A'	1717	1645	10.85	12.08	0.08	0.16
5	A'	1659	1590	115.06	76.03	0.31	0.47
6	A'	1395	1337	23.75	16.98	0.46	0.63
7	A'	1270	1218	3.63	6.47	0.59	0.74
8	A'	1153	1105	66.25	22.05	0.46	0.63
9	A'	898	861	23.98	0.26	0.38	0.55
10	A'	618	592	1.92	7.16	0.26	0.41
11	A'	341	327	1.63	0.76	0.74	0.85
12	A"	1011	969	31.46	0.37	0.75	0.86
13	A"	1004	963	15.49	2.64	0.75	0.86
14	A"	687	658	0.85	6.97	0.75	0.86
15	A"	183	175	0.04	1.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	1.209	1.213
C2	0.000	0.646
N3	-0.049	-0.778
O4	-1.174	-1.219
H5	2.094	0.574
H6	1.342	2.295
H7	-0.955	1.181

	C1	C2	N3	O4	H5	H6	H7
C1		1.3354	2.3553	3.4051	1.0916	1.0898	2.1647
C2	1.3354		1.4251	2.2038	2.0951	2.1260	1.0951
N3	2.3553	1.4251		1.2089	2.5335	3.3731	2.1592
O4	3.4051	2.2038	1.2089		3.7277	4.3218	2.4100
H5	1.0916	2.0951	2.5335	3.7277		1.8780	3.1092
H6	1.0898	2.1260	3.3731	4.3218	1.8780		2.5532
H7	2.1647	1.0951	2.1592	2.4100	3.1092	2.5532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	117.087	C1	C2	H7	125.608
C2	C1	H5	119.024	C2	C1	H6	122.148
C2	N3	O4	113.326	N3	C2	H7	117.305
H5	C1	H6	118.829

All results from a given calculation for C₂H₃NO (Nitrosoethylene)

using model chemistry: mPW1PW91/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	0.010
2	C	0.009
3	N	-0.003
4	O	-0.185
5	H	0.068
6	H	0.074
7	H	0.027

	x	y	z	Total
	1.341	2.706	0.000	3.020
CHELPG
AIM
ESP

	x	y	z
x	6.486	2.059	0.000
y	2.059	5.882	0.000
z	0.000	0.000	2.160

<r²>	75.616
(<r²>)^1/2	8.696

All results from a given calculation for C2H3NO (Nitrosoethylene)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃NO (Nitrosoethylene)