%chk=000235685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235685

0 1
S -3.649345 1.499779 -0.413649
S -2.194263 4.151690 -0.047435
O 1.350696 2.616081 -0.094844
O -1.200511 -1.164191 1.902703
O -2.721609 0.374758 1.821615
O 4.984387 1.573944 -1.263378
O 3.352176 2.995826 -1.307692
O -2.465375 -4.384402 -3.297707
O -1.554694 -4.785549 -1.371470
O 3.289698 -2.388804 3.198295
O 5.024170 -2.022727 1.954201
N -0.960980 1.873073 -0.197239
N -2.098799 -0.554691 1.348975
N 3.898895 1.990525 -0.897556
N -2.135242 -4.074519 -2.168247
N 3.895186 -1.773940 2.338360
C 1.874758 1.513348 0.539727
C -3.126852 -0.120688 -0.903150
C -2.461310 -0.990008 -0.025702
C 3.199516 1.204259 0.134673
C -2.480113 -2.695875 -1.721125
C -2.116630 -2.284953 -0.431443
C 3.203684 -0.630056 1.711605
C 3.859204 0.117478 0.730050
C -3.475145 -0.540457 -2.186438
C 1.231180 0.765121 1.540478
C -3.156174 -1.838543 -2.601503
C 1.887556 -0.310055 2.119003
C -0.004302 2.895098 -0.017544
C -2.174421 2.395101 -0.225877
C -0.472626 4.176871 0.095411
H -1.572482 -2.966102 0.245428
H 4.888043 -0.139721 0.417267
H -3.985938 0.138418 -2.878843
H 0.215196 1.014803 1.861934
H -3.421772 -2.188710 -3.609263
H 1.392639 -0.920757 2.890786
H 0.100499 5.081775 0.235393


%chk=000235685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235685

0 1
S -3.460203 1.690512 -1.297688
S -2.344803 4.088472 0.344896
O 1.415780 2.850322 0.135415
O -1.342073 -0.977430 1.856205
O -2.731322 0.788173 1.490154
O 5.017439 1.712272 -1.398652
O 3.914353 3.539121 -0.586025
O -2.784149 -4.878341 -2.832660
O -1.909714 -4.974030 -0.723673
O 3.243118 -2.688184 2.771780
O 5.132957 -2.122117 1.621288
N -0.799825 2.081101 -0.503977
N -2.177535 -0.316335 1.123819
N 4.129127 2.272514 -0.645416
N -2.433606 -4.339499 -1.714728
N 3.919878 -1.904059 2.002220
C 1.996269 1.674227 0.618405
C -3.067963 -0.099477 -1.264923
C -2.515805 -0.875097 -0.205818
C 3.335785 1.375907 0.232490
C -2.656003 -2.876874 -1.561587
C -2.287353 -2.259266 -0.358196
C 3.255277 -0.667163 1.525393
C 3.962825 0.195919 0.671101
C -3.411958 -0.765822 -2.471379
C 1.311361 0.783298 1.479519
C -3.229876 -2.149276 -2.626677
C 1.933467 -0.387030 1.938332
C 0.023059 3.003782 0.148099
C -2.054168 2.487315 -0.491304
C -0.580898 4.142354 0.649303
H -1.842396 -2.837299 0.455990
H 4.980062 -0.041594 0.349691
H -3.808152 -0.176138 -3.303626
H 0.290754 1.008068 1.797761
H -3.497673 -2.663463 -3.553025
H 1.409421 -1.078397 2.602336
H -0.116559 4.986733 1.150958


