%chk=000186475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186475

0 1
S -0.281775 0.515450 2.035601
P -0.199353 0.658981 0.149680
O 0.700098 1.832795 -0.523796
O 0.356294 -0.654950 -0.698042
O -1.620971 0.894858 -0.663464
C 0.871579 3.119607 0.182632
C 2.001719 3.750019 -0.643055
C -0.427849 3.904490 0.115313
C 3.345128 3.089247 -0.357997
C 1.553782 -1.220205 -0.239488
C -2.622747 -0.059839 -0.424823
C 2.769412 -0.539716 -0.370502
C -2.574336 -1.292456 -1.087163
C 1.465027 -2.533454 0.239732
C -3.695200 0.328125 0.386134
C 3.937691 -1.213905 -0.005359
C -3.653032 -2.164384 -0.923281
C 2.649041 -3.183157 0.594551
C -4.760660 -0.564504 0.531531
C 3.880521 -2.527581 0.473404
C -4.740756 -1.803846 -0.118582
H 1.189249 2.916610 1.231344
H 1.755454 3.648824 -1.722719
H 2.053095 4.836688 -0.439174
H -0.922085 3.782141 -0.861173
H -1.150498 3.596372 0.883022
H -0.261535 4.978849 0.258816
H 3.294010 2.002862 -0.556414
H 3.656564 3.219241 0.684451
H 4.135321 3.502783 -0.994397
H 2.807770 0.490333 -0.749148
H -1.718279 -1.554857 -1.711076
H 0.495404 -3.019026 0.329414
H -3.689568 1.295012 0.884506
H 4.899818 -0.710321 -0.096362
H -3.645455 -3.130755 -1.426923
H 2.611004 -4.205051 0.971680
H -5.609392 -0.291823 1.158372
H 4.797178 -3.041884 0.755702
H -5.574969 -2.492272 0.003452


%chk=000186475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186475

0 1
S -0.314827 0.516021 2.302838
P -0.215344 0.608018 0.248141
O 0.697501 1.872745 -0.464655
O 0.435672 -0.763940 -0.626149
O -1.706791 0.765851 -0.641671
C 0.810517 3.207497 0.238280
C 2.100448 3.831792 -0.315478
C -0.452972 4.029731 -0.038159
C 3.377208 3.059408 0.072994
C 1.714692 -1.314840 -0.306661
C -2.804231 -0.127766 -0.442250
C 2.818681 -0.947386 -1.105131
C -2.708744 -1.482944 -0.828123
C 1.826547 -2.273015 0.723408
C -4.002087 0.417877 0.064556
C 4.066305 -1.566298 -0.867316
C -3.848738 -2.306445 -0.694848
C 3.082620 -2.878887 0.953191
C -5.136023 -0.416934 0.182877
C 4.201264 -2.529927 0.160572
C -5.061816 -1.778783 -0.192411
H 0.914845 2.996877 1.322876
H 2.009171 3.898833 -1.416729
H 2.152247 4.871362 0.065624
H -0.579587 4.191842 -1.122633
H -1.354376 3.518733 0.343027
H -0.377576 5.013294 0.461246
H 3.331812 2.020264 -0.294760
H 3.504403 3.023889 1.171206
H 4.274785 3.539958 -0.356369
H 2.686276 -0.200720 -1.894205
H -1.763155 -1.868695 -1.221409
H 0.949829 -2.528677 1.326115
H -4.034136 1.472814 0.352889
H 4.929991 -1.296153 -1.484659
H -3.788915 -3.359778 -0.989863
H 3.184710 -3.623421 1.750122
H -6.072617 -0.003689 0.572755
H 5.171019 -3.005835 0.341760
H -5.941913 -2.423375 -0.094598


