%chk=000197004.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197004

0 1
S 2.410724 4.647714 -0.507715
S -5.663635 0.479826 -0.131889
O 2.758435 -1.486372 2.282254
O -0.487113 -3.841230 -0.269890
O 3.611490 5.025055 0.208146
O 2.307943 4.807957 -1.943874
O -6.519461 -0.549198 -0.684571
O -6.019440 1.184137 1.082982
N 0.861933 -0.891484 1.054511
N -0.092787 -1.599626 0.254664
N 1.148133 5.606770 0.159727
N -5.540823 1.688017 -1.350954
C 1.458875 -3.226185 1.114075
C 2.578419 -3.902927 0.310797
C 1.856290 -1.830447 1.573444
C 0.190108 -3.030431 0.295699
C 3.001701 -3.105960 -0.928513
C 1.253628 0.428016 0.605734
C -1.448459 -1.095716 0.234582
C 4.093347 -3.848221 -1.713335
C 0.824459 0.967075 -0.620147
C -1.867622 -0.031287 1.052921
C 2.059718 1.183375 1.480560
C -2.337892 -1.691309 -0.681883
C 4.529514 -3.059562 -2.944888
C 1.974024 3.033930 -0.083476
C -4.055990 -0.127458 0.012069
C 1.187287 2.272113 -0.953365
C -3.172162 0.447008 0.931411
C 2.415483 2.483135 1.124947
C -3.638749 -1.201258 -0.782439
H 1.218494 -3.862858 2.008441
H 3.452982 -4.058963 0.978187
H 2.234815 -4.916379 0.010240
H 3.374459 -2.104299 -0.636386
H 2.129993 -2.924940 -1.588488
H 3.725585 -4.847254 -2.021382
H 4.969440 -4.034000 -1.060481
H 0.220043 0.381021 -1.313665
H -1.193477 0.418564 1.783034
H 2.413502 0.755141 2.423510
H -2.020359 -2.536320 -1.300398
H 5.308861 -3.594268 -3.500993
H 3.695852 -2.889307 -3.636137
H 4.938152 -2.078071 -2.676483
H 0.861625 2.693647 -1.913026
H -3.505983 1.271392 1.574600
H 3.053511 3.070358 1.797874
H -4.338314 -1.670802 -1.485917
H 0.523696 6.091639 -0.481132
H 1.374528 6.227050 0.934274
H -5.684408 2.658517 -1.080350
H -6.005571 1.520474 -2.240807


%chk=000197004-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197004

0 1
S 2.241048 4.879373 -0.455603
S -5.737842 0.581930 -0.101312
O 2.980792 -1.472242 2.075127
O -0.494345 -3.900781 -0.271384
O 3.542853 5.313937 0.420382
O 2.152067 5.014536 -2.076295
O -6.655766 -0.557370 -0.815676
O -6.092845 1.264112 1.334535
N 0.963175 -0.901693 0.963713
N -0.076555 -1.627262 0.269693
N 0.814139 5.826014 0.225560
N -5.587939 1.960523 -1.314980
C 1.510164 -3.219135 1.057537
C 2.632150 -3.990723 0.306717
C 1.937223 -1.813464 1.472626
C 0.227667 -3.022225 0.253277
C 3.114525 -3.304271 -0.989971
C 1.239005 0.464470 0.620781
C -1.401766 -1.084048 0.185100
C 4.221013 -4.118351 -1.698698
C 0.818801 0.996569 -0.626331
C -1.826756 -0.071549 1.084841
C 1.970703 1.259798 1.541693
C -2.288124 -1.604061 -0.795212
C 4.718798 -3.444913 -2.995407
C 1.828519 3.099978 -0.015284
C -3.985408 -0.085605 0.008939
C 1.111597 2.335804 -0.948338
C -3.135531 0.439944 0.993864
C 2.277141 2.595894 1.214710
C -3.602200 -1.102090 -0.878909
H 1.240216 -3.803762 1.960017
H 3.480631 -4.111057 1.006218
H 2.240663 -4.999434 0.075443
H 3.505458 -2.292420 -0.758600
H 2.260764 -3.172543 -1.686256
H 3.836447 -5.132436 -1.929923
H 5.071939 -4.256694 -1.001523
H 0.280369 0.371715 -1.342816
H -1.150356 0.304753 1.855957
H 2.308472 0.831442 2.486736
H -1.957399 -2.400278 -1.464012
H 5.510517 -4.043791 -3.480783
H 3.894150 -3.323368 -3.722789
H 5.134529 -2.441239 -2.787327
H 0.818534 2.766352 -1.910847
H -3.496200 1.204209 1.689242
H 2.863851 3.223246 1.892755
H -4.314740 -1.503029 -1.606320
H 0.347815 6.307527 -0.561609
H 1.178240 6.477010 0.941539
H -5.836937 2.839371 -0.830688
H -6.208461 1.747128 -2.114013


