%chk=000189237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189237

0 1
S 3.439674 1.969392 0.373676
O 0.184903 -1.503634 1.572532
O 0.363621 -3.747167 -0.770854
O 2.584306 -3.313419 0.302516
O 2.693360 0.441239 0.369218
O 2.613145 2.806110 -0.437389
O 3.763481 2.245003 1.739441
N -1.037121 -0.462867 -0.173864
N -3.448905 -0.849097 0.319069
N -4.877791 1.065717 -0.191962
N -4.071353 3.067280 -1.142158
N 4.825373 1.573246 -0.492556
C 0.552814 -2.348463 -0.643748
C -0.496964 -1.732405 0.326310
C 1.934509 -2.069937 0.017992
C 1.625942 -1.452837 1.397871
C 2.060289 0.008375 1.589377
C -2.386067 -0.085393 -0.106650
C -0.302232 0.654570 -0.679102
C -2.493897 1.260688 -0.599779
C -1.166479 1.692059 -0.948148
C -3.804569 1.810395 -0.632504
C -4.645865 -0.214147 0.246883
H 0.463736 -1.979495 -1.688144
H -1.338800 -2.427085 0.593447
H 2.605829 -1.448312 -0.610866
H 2.007871 -2.102052 2.223436
H 2.778649 0.114450 2.426106
H 1.169582 0.646873 1.776304
H 0.769171 0.605003 -0.796944
H 0.472668 -4.194395 0.111341
H 2.611743 -3.873750 -0.513189
H -0.908431 2.654449 -1.346995
H -5.534652 -0.776192 0.580183
H -3.319525 3.720478 -1.276476
H -5.000185 3.451872 -1.042654
H 5.537631 0.959861 -0.110746
H 4.834239 1.575986 -1.507473


%chk=000189237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189237

0 1
S 3.080420 1.271881 -0.383535
O 1.153302 -0.321997 1.668671
O -0.536621 -2.810393 -0.427709
O 1.174726 -3.686812 1.321322
O 3.766050 -0.429319 0.076072
O 1.742454 1.118507 -1.265004
O 3.195257 2.223386 0.910047
N -0.876063 0.281635 0.594762
N -2.433738 -1.008433 -0.812849
N -4.215599 0.329017 -1.802596
N -4.442549 2.633464 -1.474919
N 4.338391 1.728308 -1.526854
C 0.431075 -1.798753 -0.066427
C -0.066549 -0.849385 1.061191
C 1.641043 -2.490444 0.627673
C 2.131338 -1.459579 1.682551
C 3.513394 -0.853392 1.468881
C -1.984592 0.151103 -0.230207
C -0.750036 1.631205 0.967205
C -2.580610 1.442645 -0.380955
C -1.780786 2.369942 0.385408
C -3.742365 1.480814 -1.214083
C -3.549417 -0.836722 -1.578685
H 0.764708 -1.186700 -0.925874
H -0.645550 -1.442251 1.802984
H 2.431154 -2.744859 -0.102592
H 2.095178 -1.949683 2.675770
H 4.299418 -1.611740 1.643692
H 3.668871 -0.000778 2.158585
H 0.081880 1.942576 1.593494
H -1.413017 -2.299605 -0.666952
H 0.355739 -3.968817 0.813756
H -1.914744 3.444643 0.494422
H -3.950656 -1.728190 -2.068095
H -4.157996 3.529263 -1.089762
H -5.256665 2.572021 -2.083639
H 5.284352 1.747958 -1.133210
H 4.208504 1.321880 -2.459035


