%chk=000258586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258586

0 1
S 2.470281 1.229765 0.038169
O -1.112275 2.742550 -0.454416
O 0.155062 0.154365 -2.384126
O 0.302387 5.240506 0.503559
N -2.287441 0.760995 -0.023978
N -3.780621 0.417211 1.689263
N -2.209488 -1.577136 -0.934938
N -3.674284 -3.104592 0.298820
N -4.989859 -2.432894 2.145594
C 1.036766 1.800551 -0.904425
C -0.001485 0.683371 -1.072536
C -1.370557 1.437353 -0.970821
C 0.313978 2.892154 -0.108365
C 0.673142 4.323279 -0.526525
C -2.636914 -0.592843 -0.072900
C -3.016722 1.326501 1.076188
C 3.275820 0.120303 -1.168193
C -3.571861 -0.791167 1.001149
C 4.059889 -0.842481 -0.340660
C -4.092787 -2.110685 1.165253
C -2.774309 -2.790784 -0.683437
C 3.491859 -2.066766 0.048047
C 5.370308 -0.528128 0.054552
C 4.230271 -2.965555 0.821591
C 6.102661 -1.431705 0.828874
C 5.535808 -2.651021 1.212861
H 1.355915 2.159304 -1.915018
H 0.091752 -0.137801 -0.325187
H -1.879192 1.579909 -1.956139
H 0.369046 2.765138 0.996981
H 0.184424 4.604836 -1.477603
H 1.771371 4.462060 -0.602815
H -0.404101 -0.665996 -2.476773
H -2.915407 2.375329 1.327977
H 3.914267 0.709211 -1.854387
H 2.514378 -0.380931 -1.804433
H -0.676863 5.278012 0.584050
H -2.476667 -3.624926 -1.342670
H 2.474279 -2.315483 -0.248208
H 5.817161 0.420929 -0.236981
H -5.340015 -3.373838 2.237402
H -5.311279 -1.728596 2.792955
H 3.786171 -3.913516 1.121922
H 7.117977 -1.183556 1.134750
H 6.108355 -3.352930 1.815877


%chk=000258586-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258586

0 1
S 2.626523 1.156324 0.371473
O -1.118821 2.719540 -0.134970
O 0.111439 -0.523597 -1.349791
O 0.091703 5.293381 0.289253
N -2.560762 0.813561 0.017008
N -4.559076 0.667960 1.137569
N -2.276875 -1.586639 -0.603012
N -4.138084 -2.969093 0.192801
N -5.960564 -2.092338 1.411575
C 1.010072 1.611776 -0.484975
C -0.085488 0.536663 -0.392425
C -1.372944 1.380174 -0.659159
C 0.363181 2.839983 0.182029
C 0.820595 4.198064 -0.350234
C -2.935844 -0.530751 -0.027449
C -3.573122 1.487347 0.722927
C 3.335152 -0.011466 -0.994238
C -4.172312 -0.600145 0.666482
C 4.422050 -0.877453 -0.409803
C -4.774806 -1.889086 0.766755
C -2.951753 -2.767441 -0.445704
C 4.096283 -2.092737 0.248496
C 5.785357 -0.496567 -0.506468
C 5.110691 -2.910788 0.791065
C 6.802673 -1.313034 0.037077
C 6.467981 -2.523216 0.687102
H 1.227123 1.808830 -1.551903
H -0.133085 0.153062 0.650330
H -1.571875 1.431165 -1.748680
H 0.456683 2.809654 1.284783
H 0.697548 4.220704 -1.454360
H 1.882478 4.356709 -0.099274
H -0.682632 -1.161235 -1.221667
H -3.515229 2.555581 0.908929
H 3.712343 0.638705 -1.800500
H 2.468735 -0.593690 -1.345962
H -0.875865 5.139046 0.135176
H -2.484552 -3.654333 -0.882427
H 3.044198 -2.390026 0.331525
H 6.048528 0.441594 -1.010368
H -6.346186 -3.033773 1.454293
H -6.443799 -1.307433 1.844280
H 4.846229 -3.848588 1.292569
H 7.851653 -1.007617 -0.047442
H 7.255657 -3.158476 1.107613


