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	hartrees
Energy at 0K	-516.722384
Energy at 298.15K
HF Energy	-516.306301
Nuclear repulsion energy	48.828950

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.925
Cl2	0.000	0.000	1.208
H3	0.000	0.947	-2.311
H4	0.820	-0.473	-2.311
H5	-0.820	-0.473	-2.311
H6	0.000	0.000	-0.124

	N1	Cl2	H3	H4	H5	H6
N1		3.1322	1.0224	1.0224	1.0224	1.8009
Cl2	3.1322		3.6434	3.6434	3.6434	1.3313
H3	1.0224	3.6434		1.6398	1.6398	2.3830
H4	1.0224	3.6434	1.6398		1.6398	2.3830
H5	1.0224	3.6434	1.6398	1.6398		2.3830
H6	1.8009	1.3313	2.3830	2.3830	2.3830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	H6	Cl2	180.000	H3	N1	H4	106.631
H3	N1	H5	106.631	H3	N1	H6	112.181
H4	N1	H5	106.631	H4	N1	H6	112.181
H5	N1	H6	112.181

All results from a given calculation for NH₄Cl (Ammonium chloride)

using model chemistry: QCISD(TQ)=FULL/aug-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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All results from a given calculation for NH4Cl (Ammonium chloride)

using model chemistry: QCISD(TQ)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₄Cl (Ammonium chloride)