%chk=000284533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284533

0 1
S -1.041371 2.294192 0.056534
O -0.060397 2.903325 0.923542
O -1.680208 3.135846 -0.929756
N -1.739200 -1.310714 0.172001
C -0.450530 0.718985 -0.749906
C -1.483313 0.025053 0.141624
C -2.030458 1.107111 0.793396
C 0.977789 0.380092 -0.557297
C -3.090001 1.314873 1.781182
C -2.729349 -1.884743 1.122363
C -1.004856 -2.267583 -0.699490
C 1.781119 0.088732 -1.672736
C 1.553158 0.341948 0.725354
C -2.067179 -2.309758 2.430966
C -1.737277 -2.482124 -2.022512
C 3.127947 -0.241289 -1.510493
C 2.897340 0.009656 0.886624
C 3.697411 -0.287298 -0.229407
C 5.141139 -0.626304 -0.047696
H -0.735638 0.677568 -1.820174
H -3.646337 0.383178 1.985875
H -3.828576 2.055993 1.436233
H -2.685770 1.670061 2.742485
H -3.234351 -2.748549 0.636255
H -3.522954 -1.119167 1.329997
H -0.890581 -3.233318 -0.157127
H 0.029866 -1.893324 -0.886772
H 1.358127 0.128650 -2.675019
H 0.954976 0.602707 1.600959
H -1.292586 -3.069733 2.277189
H -1.584856 -1.457152 2.930037
H -2.803616 -2.724362 3.128998
H -2.744962 -2.888376 -1.875696
H -1.849728 -1.544173 -2.581539
H -1.188785 -3.181988 -2.664388
H 3.737802 -0.456106 -2.385656
H 3.331152 -0.005107 1.885097
H 5.300683 -1.302635 0.802717
H 5.577264 -1.109731 -0.931025
H 5.730407 0.283163 0.146463


%chk=000284533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284533

0 1
S -1.010949 2.377261 -0.007613
O 0.073714 3.091626 0.990580
O -1.853207 3.337705 -1.034070
N -1.736177 -1.378837 0.169696
C -0.392217 0.530770 -0.823259
C -1.468384 -0.025427 0.117006
C -2.037059 1.033042 0.816207
C 1.038648 0.237135 -0.601639
C -3.117004 1.329936 1.808327
C -2.719307 -1.922543 1.133561
C -1.137698 -2.335049 -0.792710
C 1.940508 0.218562 -1.701786
C 1.560241 0.013643 0.704209
C -2.107187 -2.181432 2.527837
C -2.004755 -2.548731 -2.053738
C 3.312637 -0.032047 -1.505368
C 2.930871 -0.240858 0.891324
C 3.833923 -0.266191 -0.205811
C 5.316519 -0.503252 0.014572
H -0.688473 0.581156 -1.884541
H -3.237632 0.517839 2.548567
H -4.098818 1.506050 1.328360
H -2.862142 2.243435 2.377334
H -3.113685 -2.867303 0.716695
H -3.578689 -1.232849 1.213467
H -0.993412 -3.298494 -0.267422
H -0.133742 -1.979782 -1.078949
H 1.559313 0.403591 -2.714096
H 0.885692 0.054363 1.566611
H -1.274025 -2.903987 2.464198
H -1.713443 -1.247794 2.966841
H -2.869893 -2.592880 3.214489
H -3.014614 -2.913529 -1.791775
H -2.119890 -1.606283 -2.618208
H -1.534588 -3.295293 -2.720090
H 3.991118 -0.043843 -2.366632
H 3.316999 -0.407527 1.904357
H 5.494336 -1.290120 0.769638
H 5.824656 -0.801432 -0.918677
H 5.811115 0.416969 0.381712


