%chk=000235727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235727

0 1
S -2.724158 0.930652 0.409403
S 1.140097 2.000124 -0.440318
O -3.795563 1.175212 -0.531085
O -2.931346 1.050359 1.831702
O 1.869282 3.149385 0.037991
O 0.616990 1.942511 -1.791427
N -1.519565 2.111573 -0.061763
N -0.281698 1.838837 0.583460
C -2.037447 -0.626215 0.066748
C 2.030577 0.571989 -0.075971
C -1.388466 -1.339027 1.078028
C 1.634526 -0.661194 -0.603632
C -2.172683 -1.180304 -1.209875
C 3.168865 0.657467 0.735531
C -0.863027 -2.608123 0.810799
C 2.375953 -1.811848 -0.317501
C -1.644238 -2.445885 -1.480354
C 3.909090 -0.491928 1.022002
C -0.993403 -3.160142 -0.467574
C 3.511820 -1.726270 0.494381
H -1.427859 2.311897 -1.084465
H -0.257525 2.431235 1.449307
H -1.298097 -0.909218 2.082480
H 0.747255 -0.733635 -1.242627
H -2.703869 -0.631943 -1.996730
H 3.485337 1.626989 1.140230
H -0.362708 -3.166472 1.600395
H 2.067542 -2.772074 -0.728968
H -1.751862 -2.879652 -2.473720
H 4.795693 -0.426286 1.652149
H -0.593849 -4.153524 -0.674950
H 4.091737 -2.623790 0.716152


%chk=000235727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235727

0 1
S -3.088055 -1.032215 -0.125947
S 3.166031 1.457657 0.476579
O -3.368416 -0.065361 -1.423372
O -3.664196 -0.186367 1.453406
O 2.969621 2.666132 1.569493
O 2.936703 2.125283 -1.284949
N -0.043955 1.524944 -0.099351
N -0.966706 1.229150 0.506365
C -4.529872 -2.243493 -0.138467
C 5.033699 1.327556 0.266853
C -4.688671 -3.161257 0.917348
C 5.567506 0.414543 -0.662489
C -5.381998 -2.202803 -1.254457
C 5.829404 2.140914 1.089578
C -5.756005 -4.085823 0.839595
C 6.974445 0.314213 -0.762660
C -6.443980 -3.133241 -1.317746
C 7.234110 2.030819 0.976833
C -6.627168 -4.073135 -0.276123
C 7.802811 1.118914 0.056236
H 1.943897 2.167119 -1.408587
H -2.935115 0.469079 1.659356
H -4.023206 -3.145044 1.786465
H 4.914592 -0.184493 -1.305658
H -5.211752 -1.449342 -2.032922
H 5.346586 2.839195 1.783864
H -5.908872 -4.806483 1.649881
H 7.419762 -0.382991 -1.480259
H -7.125480 -3.122048 -2.174840
H 7.880446 2.655496 1.602392
H -7.451015 -4.793140 -0.330903
H 8.892248 1.036922 -0.025718


