%chk=000212116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212116

0 1
S -0.012699 0.085148 -2.036446
S 3.430438 -0.196028 -2.285584
P 1.870529 -0.102430 -1.186733
O 1.529418 -1.402492 -0.230169
O 1.796584 1.147654 -0.110813
O -3.228563 0.208887 1.203850
N -4.857273 0.343413 -0.386021
C -1.111881 0.108636 -0.556062
C -2.518507 0.220994 -1.117980
C -3.527412 0.254138 0.022746
C 2.642826 -2.115510 0.394641
C 3.036013 1.832844 0.254130
C 1.942525 -3.211735 1.175810
C 2.584728 2.773000 1.356368
C -5.949674 0.385522 0.607106
H -0.862979 0.963513 0.108107
H -0.981523 -0.814605 0.048408
H -2.623840 1.138735 -1.738374
H -2.742269 -0.634131 -1.793952
H 3.306112 -2.523975 -0.392870
H 3.196524 -1.424310 1.055440
H 3.785549 1.103628 0.609882
H 3.415039 2.378014 -0.632333
H 1.338570 -3.845316 0.510509
H 1.249257 -2.791059 1.917694
H 2.659401 -3.853011 1.699954
H 1.787892 3.442493 1.001624
H 2.166195 2.219055 2.207915
H 3.412404 3.391345 1.720591
H -5.130144 0.381633 -1.358415
H -6.630596 -0.471405 0.476806
H -5.538046 0.337770 1.636824
H -6.524398 1.321786 0.517449


%chk=000212116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212116

0 1
S 0.155357 -0.006058 -2.264819
S 3.839866 -0.288156 -2.156127
P 2.070061 -0.351595 -1.094840
O 1.623980 -1.801579 -0.258252
O 1.954971 0.734365 0.272233
O -2.925404 1.117702 1.094052
N -4.662394 0.427937 -0.298968
C -1.077159 -0.090717 -0.808347
C -2.386209 0.587401 -1.246972
C -3.335083 0.729738 -0.041998
C 2.618946 -2.390613 0.693799
C 2.413717 2.141250 0.091186
C 2.033280 -3.727525 1.135964
C 2.214397 2.828138 1.439330
C -5.710192 0.556387 0.722296
H -0.634893 0.441662 0.047665
H -1.216323 -1.151030 -0.552318
H -2.164619 1.607108 -1.617706
H -2.863934 0.029391 -2.074335
H 3.584456 -2.515313 0.166459
H 2.748509 -1.691621 1.540351
H 3.474735 2.134531 -0.223111
H 1.806281 2.616136 -0.704228
H 1.892359 -4.396812 0.270702
H 1.058527 -3.581479 1.631540
H 2.719574 -4.216422 1.852191
H 1.153739 2.799381 1.741079
H 2.815326 2.334318 2.221746
H 2.531663 3.885183 1.369582
H -4.920823 0.108392 -1.233430
H -6.195521 -0.416457 0.922727
H -5.226036 0.911081 1.646134
H -6.480951 1.287479 0.416519


