! OPT FREQ r2scan-3c

%pal
	nprocs	10
end

%maxcore	4000

*xyz 0 1
Ni	-0.19151	0.4346		-0.00005
Fe	2.53497		3.04463		-1.90878
P	1.16906	1.87499	0.97367
P	0.18246	0.61449	-2.16718
C	2.64572	2.49008	0.06215
C	0.93655	2.15501	-2.8333
C	-1.28305	0.39868	-3.27729
C	-1.70311	-0.88211	-3.674
H	-1.09582	-1.74903	-3.43082
C	-2.89679	-1.05695	-4.37524
H	-3.20229	-2.05617	-4.67523
C	-3.69828	0.04407	-4.68528
H	-4.62947	-0.09194	-5.22856
C	-3.29301	1.32161	-4.29175
H	-3.90714	2.18593	-4.53171
C	-2.09715	1.49718	-3.59371
H	-1.79379	2.4975	-3.29824
C	1.36376	-0.63701	-2.87232
C	1.47719	-0.88822	-4.24935
H	0.82554	-0.36884	-4.94608
C	2.41565	-1.80177	-4.73216
H	2.49084	-1.98361	-5.80122
C	3.25501	-2.48187	-3.84505
H	3.98399	-3.19441	-4.22192
C	3.14543	-2.24845	-2.47299
H	3.78623	-2.7801	-1.77438
C	2.20307	-1.33577	-1.99409
H	2.10302	-1.1574	-0.92738
C	0.59023	3.47822	-2.39024
H	-0.15547	3.71742	-1.64843
C	1.45241	4.41469	-3.02921
H	1.4646	5.48282	-2.85618
C	2.34214	3.68727	-3.87348
H	3.15321	4.10521	-4.4557
C	2.0259	2.30248	-3.76078
H	2.5581	1.49318	-4.23865
C	3.50375	1.66459	-0.74396
H	3.39863	0.60096	-0.88987
C	4.46558	2.49569	-1.38674
H	5.21317	2.16499	-2.09579
C	4.21707	3.84272	-0.9904
H	4.74238	4.71945	-1.34658
C	3.10626	3.84325	-0.09807
H	2.64507	4.71899	0.33431
C	0.40185	3.50588	1.43439
C	0.99303	4.39771	2.34397
H	1.91708	4.12211	2.84384
C	0.40471	5.63432	2.61427
H	0.87612	6.31282	3.32067
C	-0.78629	5.99957	1.98017
H	-1.24445	6.96187	2.19285
C	-1.38824	5.11871	1.07978
H	-2.31949	5.3892	0.58891
C	-0.79796	3.88109	0.81496
H	-1.26717	3.18534	0.12564
C	1.91232	1.35201	2.58719
C	1.20461	1.51715	3.78989
H	0.26392	2.06022	3.79248
C	1.69394	0.98905	4.9852
H	1.13255	1.13141	5.90516
C	2.89518	0.27653	4.99976
H	3.27534	-0.13728	5.92983
C	3.60405	0.10064	3.80923
H	4.54229	-0.44849	3.80988
C	3.11704	0.63281	2.61416
H	3.68378	0.4928	1.69823
C	-2.33934	0.56517	0.15644
H	-2.6267	1.46419	-0.38949
C	-1.81384	0.71355	1.43023
H	-1.71379	1.72295	1.81693
C	-1.78392	-0.38957	2.4798
H	-2.66282	-1.03213	2.35479
H	-1.88487	0.06384	3.47368
C	-0.49029	-1.24439	2.45941
H	0.25103	-0.77543	3.10986
H	-0.69903	-2.23472	2.89779
C	0.13231	-1.39877	1.08672
H	1.21078	-1.5591	1.09494
C	-0.56504	-1.70982	-0.07036
H	0.00617	-2.0968	-0.90881
C	-2.06314	-1.98052	-0.12602
H	-2.37784	-2.46262	0.80653
H	-2.26142	-2.70999	-0.9209
C	-2.92658	-0.71945	-0.39219
H	-3.04804	-0.59694	-1.47038
H	-3.93979	-0.87871	0.01328
*