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	hartrees
Energy at 0K	-454.490278
Energy at 298.15K	-454.494272
HF Energy	-454.390917
Nuclear repulsion energy	54.196571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3475	3309	13.10
2	A₁	1382	1316	21.60
3	A₁	593	565	10.04
4	E	3587	3417	85.75
4	E	3587	3417	85.75
5	E	1670	1591	34.45
5	E	1670	1591	34.44
6	E	849	809	32.85
6	E	849	809	32.85

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.105
S2	0.000	0.000	0.758
H3	0.000	0.952	-1.465
H4	0.824	-0.476	-1.465
H5	-0.824	-0.476	-1.465

	N1	S2	H3	H4	H5
N1		1.8630	1.0177	1.0177	1.0177
S2	1.8630		2.4186	2.4186	2.4186
H3	1.0177	2.4186		1.6485	1.6485
H4	1.0177	2.4186	1.6485		1.6485
H5	1.0177	2.4186	1.6485	1.6485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S2	N1	H3	110.742	S2	N1	H4	110.742
S2	N1	H5	110.742	H3	N1	H4	108.171
H3	N1	H5	108.171	H4	N1	H5	108.171

All results from a given calculation for NH₃S (sulfidoazane)

using model chemistry: B2PLYP/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	N	-0.735
2	S	-0.387
3	H	0.374
4	H	0.374
5	H	0.374

	x	y	z	Total
	0.000	0.000	-6.338	6.338
CHELPG
AIM
ESP

	x	y	z
x	3.764	0.000	0.000
y	0.000	3.764	-0.000
z	0.000	-0.000	5.306

<r²>	39.132
(<r²>)^1/2	6.256

All results from a given calculation for NH3S (sulfidoazane)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for NH₃S (sulfidoazane)