%chk=000210364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210364

0 1
S 8.326122 1.138119 -0.823309
S 9.023811 -0.791692 -0.961747
O 7.722994 -1.436500 -1.805033
O 10.125643 -0.844710 -1.862559
O 9.017232 -1.399568 0.323755
N 4.644736 0.442682 0.760491
C 0.831612 0.032692 0.701607
C -0.217028 -0.094360 1.818099
C 2.249265 0.125110 1.276490
C -1.601646 -0.189473 1.237122
C -4.197544 -0.414172 0.129103
C 3.289345 0.260865 0.152621
C -3.685599 0.847035 0.515534
C -2.382230 0.942373 1.068500
C -5.537157 -0.500555 -0.436918
C -2.113152 -1.455318 0.847632
C -3.378658 -1.561300 0.308708
C -6.301875 0.680536 -0.590547
C -4.497992 2.033595 0.343126
C -5.745203 1.953594 -0.184344
C 5.719929 0.478197 -0.280071
C -6.105658 -1.738169 -0.842524
C -7.609052 0.606898 -1.141677
C 6.987116 0.988500 0.402883
C -7.378264 -1.791406 -1.376478
C -8.138484 -0.608421 -1.528216
H 0.750949 -0.832717 0.014784
H 0.609441 0.926983 0.085789
H -0.000436 -0.982634 2.445877
H -0.142234 0.771583 2.507348
H 2.330566 0.994822 1.960770
H 2.467252 -0.764799 1.897487
H 3.068091 1.163763 -0.460114
H 3.231919 -0.613140 -0.531780
H -2.003664 1.921140 1.358235
H -1.495154 -2.341745 0.978626
H -3.765114 -2.538318 0.013053
H -4.074135 2.988837 0.651024
H 4.833491 -0.321175 1.420708
H -6.361152 2.842854 -0.316323
H 5.895448 -0.511404 -0.765972
H 5.412311 1.175051 -1.093557
H -5.522563 -2.652575 -0.726745
H -8.188034 1.522306 -1.254994
H 6.826214 2.003432 0.830355
H 7.297078 0.344748 1.252495
H -7.808189 -2.742918 -1.685175
H -9.139777 -0.668510 -1.950760
H 7.924729 -1.996138 -2.573580


%chk=000210364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210364

0 1
S 8.510558 1.217239 -0.831536
S 9.317622 -1.122808 -0.628910
O 8.751815 -1.694457 -2.309389
O 10.918840 -1.342358 -0.560376
O 8.381771 -1.843412 0.488432
N 4.668588 0.484399 0.511294
C 0.812386 0.191128 0.587147
C -0.228987 0.053832 1.732566
C 2.259836 0.299780 1.114051
C -1.650296 -0.099745 1.214142
C -4.313732 -0.423635 0.142929
C 3.293631 0.433316 -0.020821
C -3.859615 0.855021 0.632428
C -2.537708 0.985330 1.159298
C -5.671853 -0.546506 -0.393831
C -2.109476 -1.364515 0.729843
C -3.400551 -1.520479 0.212215
C -6.524418 0.618134 -0.420109
C -4.748929 1.994876 0.588091
C -6.028844 1.880917 0.081550
C 5.762430 0.645475 -0.456587
C -6.199562 -1.775390 -0.898327
C -7.851293 0.513967 -0.941550
C 7.059026 0.946230 0.314109
C -7.503987 -1.856415 -1.405241
C -8.340580 -0.703475 -1.428795
H 0.724891 -0.682616 -0.089577
H 0.563584 1.083303 -0.021497
H 0.044126 -0.824294 2.351873
H -0.157905 0.942881 2.388964
H 2.355731 1.170693 1.791372
H 2.494306 -0.601828 1.719742
H 3.110268 1.367310 -0.588390
H 3.160007 -0.409054 -0.744269
H -2.217483 1.967937 1.530166
H -1.435942 -2.229596 0.774787
H -3.707429 -2.510304 -0.139603
H -4.383213 2.956856 0.966529
H 4.856094 -0.238252 1.219333
H -6.695884 2.750628 0.051142
H 5.923554 -0.246519 -1.106640
H 5.513337 1.491741 -1.125075
H -5.581560 -2.678644 -0.894591
H -8.484383 1.409404 -0.953326
H 6.968791 1.847839 0.948212
H 7.323709 0.090584 0.970451
H -7.882787 -2.811609 -1.785342
H -9.359063 -0.773399 -1.825824
H 9.295882 -2.505512 -2.541263


