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	hartrees
Energy at 0K	-214.791203
Energy at 298.15K
HF Energy	-214.624203
Nuclear repulsion energy	78.970406

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	3806	3645	39.79	72.91	0.29	0.45
2	A	3148	3014	49.26	77.04	0.48	0.64
3	A	3045	2916	78.15	110.03	0.14	0.25
4	A	1528	1463	5.19	8.50	0.72	0.84
5	A	1461	1400	51.13	5.18	0.75	0.85
6	A	1410	1350	12.75	5.28	0.75	0.86
7	A	1268	1214	6.24	7.62	0.71	0.83
8	A	1165	1115	157.64	3.36	0.31	0.47
9	A	1080	1034	98.50	2.14	0.39	0.56
10	A	1028	985	115.60	3.10	0.56	0.72
11	A	549	526	37.29	1.97	0.62	0.77
12	A	397	380	110.24	4.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.014	0.509	0.048
F2	1.134	-0.310	-0.028
O3	-1.147	-0.216	-0.117
H4	0.069	1.022	1.026
H5	0.062	1.232	-0.777
H6	-1.245	-0.794	0.653

	C1	F2	O3	H4	H5	H6
C1		1.3893	1.3783	1.1048	1.0988	1.9100
F2	1.3893		2.2839	2.0038	2.0220	2.5215
O3	1.3783	2.2839		2.0774	1.9985	0.9677
H4	1.1048	2.0038	2.0774		1.8151	2.2722
H5	1.0988	2.0220	1.9985	1.8151		2.8035
H6	1.9100	2.5215	0.9677	2.2722	2.8035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	H6	107.724	F2	C1	O3	111.226
F2	C1	H4	106.352	F2	C1	H5	108.145
O3	C1	H4	113.114	O3	C1	H5	107.029
H4	C1	H5	110.915

All results from a given calculation for CH₂FOH (fluoromethanol)

using model chemistry: B2PLYP/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	0.327
2	F	-0.267
3	O	-0.254
4	H	0.010
5	H	0.032
6	H	0.152

	x	y	z	Total
	-0.730	0.650	1.408	1.714
CHELPG
AIM
ESP

	x	y	z
x	2.428	0.211	-0.045
y	0.211	2.365	-0.172
z	-0.045	-0.172	2.266

<r²>	42.453
(<r²>)^1/2	6.516

All results from a given calculation for CH2FOH (fluoromethanol)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₂FOH (fluoromethanol)