%chk=000230904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230904

0 1
S 3.305630 1.365327 -0.879029
O 2.778095 -1.893916 0.069502
O -1.695188 1.581793 0.358220
O 4.470059 0.676727 -1.386967
O 2.114645 1.475249 -1.701598
O 0.693529 -1.741622 -0.814281
O -0.867234 0.496757 2.212185
N 0.444490 0.876952 0.315858
N 3.810721 2.965708 -0.518654
C 1.537443 -0.010162 0.748679
C 2.879019 0.721755 0.702735
C 1.563422 -1.290631 -0.118086
C -0.729585 0.903711 1.077394
C -3.013458 1.678713 0.984797
C 3.135995 -3.028662 -0.793847
C -3.859568 0.494864 0.609067
C -3.612005 -0.211934 -0.575318
C -4.919640 0.114215 1.444834
C 3.682962 -2.484178 -2.093123
C -4.421772 -1.296835 -0.921697
C -5.730403 -0.967049 1.089265
C -5.482982 -1.673677 -0.092481
H 1.344503 -0.346028 1.817922
H 2.870943 1.527232 1.476125
H 3.674293 0.017893 1.060476
H 0.416233 1.145171 -0.689785
H 4.773650 3.224407 -0.730619
H 3.196933 3.735523 -0.783065
H -3.389816 2.619184 0.533917
H -2.889662 1.790880 2.079343
H 2.246575 -3.669153 -0.925459
H 3.897824 -3.529066 -0.169076
H -2.779769 0.083545 -1.216806
H -5.110539 0.651595 2.371616
H 2.885113 -2.138786 -2.764951
H 4.343607 -1.612715 -1.920830
H 4.270072 -3.234310 -2.634372
H -4.222138 -1.849698 -1.838618
H -6.553515 -1.262706 1.737482
H -6.113482 -2.517972 -0.364253


%chk=000230904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230904

0 1
S 3.500955 1.274915 -0.667092
O 3.161013 -1.802643 0.140235
O -1.703832 1.418135 -0.027697
O 5.090510 0.935165 -0.698353
O 2.505969 0.795279 -1.880098
O 1.017411 -2.145498 -0.732868
O -0.945885 0.524842 2.023902
N 0.378696 0.515342 0.091415
N 3.380908 3.109973 -0.512597
C 1.480925 -0.191740 0.726224
C 2.691147 0.702443 1.016965
C 1.826561 -1.478466 -0.062308
C -0.774256 0.782550 0.799324
C -3.027845 1.735714 0.614917
C 3.710317 -2.970935 -0.628713
C -4.025997 0.614848 0.428254
C -4.900607 0.611149 -0.686733
C -4.103969 -0.440624 1.374724
C 4.237305 -2.496469 -1.984277
C -5.838301 -0.431407 -0.859488
C -5.041242 -1.482176 1.203271
C -5.911313 -1.479380 0.086964
H 1.104867 -0.512461 1.723423
H 2.409150 1.651544 1.494874
H 3.515889 0.180016 1.521531
H 0.421700 0.665676 -0.920666
H 4.309205 3.502246 -0.745416
H 2.634229 3.445481 -1.144629
H -3.337760 2.652839 0.089246
H -2.844431 1.945296 1.682747
H 2.906967 -3.721104 -0.733465
H 4.511003 -3.351615 0.024660
H -4.843264 1.423057 -1.422032
H -3.419327 -0.439293 2.230683
H 3.417906 -2.104387 -2.609445
H 4.987483 -1.698475 -1.853026
H 4.707289 -3.344865 -2.515084
H -6.510755 -0.425249 -1.724527
H -5.093720 -2.294392 1.936806
H -6.639900 -2.287230 -0.045148


