%chk=000184415.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184415

0 1
S -1.449692 1.451979 -1.377092
O 4.417007 2.932508 0.392174
O 2.868128 2.713407 -1.206664
N -0.797225 -0.579027 0.085601
C 1.678308 -0.622845 -0.012035
C 2.725533 0.100223 0.590642
C 0.403283 0.009296 -0.390695
C 2.587771 1.555488 0.948989
C 1.845348 -1.994933 -0.273279
C 3.933401 -0.550131 0.891482
C -1.864645 0.058662 -0.344016
C 0.234952 1.105983 -1.193773
C -3.259174 -0.242813 -0.046993
C 3.046817 -2.632891 0.034967
C 4.094850 -1.907537 0.612554
C -3.595612 -0.798957 1.201003
C -4.266681 0.014783 -0.992567
C 3.235056 2.420948 -0.093016
C -4.929902 -1.080737 1.500879
C -5.598447 -0.271222 -0.682683
C -5.932169 -0.815443 0.562017
H 3.040456 1.748906 1.950914
H 1.516179 1.849377 1.053667
H 1.020975 -2.558407 -0.715774
H 4.750195 0.011527 1.345688
H 1.003879 1.704792 -1.674130
H 3.167797 -3.694955 -0.173492
H 5.035894 -2.402930 0.848006
H -2.807978 -1.013633 1.926593
H -4.018838 0.426792 -1.971030
H -5.188508 -1.510330 2.467910
H -6.378973 -0.071067 -1.415624
H -6.972278 -1.035326 0.798790
H 4.888490 3.510611 -0.266612


%chk=000184415-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184415

0 1
S -1.533994 1.718680 -1.249132
O 4.895576 2.588030 -0.251764
O 2.968793 2.779308 -1.524685
N -0.864925 -0.453049 0.145238
C 1.618807 -0.451106 0.220905
C 2.795247 0.258627 0.614682
C 0.342852 0.192776 -0.185294
C 2.852100 1.785045 0.749922
C 1.647907 -1.875618 0.229101
C 3.963696 -0.471865 0.952763
C -1.942720 0.172764 -0.302769
C 0.185751 1.359383 -0.933478
C -3.330490 -0.256998 -0.091862
C 2.812508 -2.586568 0.571945
C 3.985902 -1.880581 0.926866
C -3.580277 -1.415332 0.698905
C -4.432091 0.445363 -0.652252
C 3.520042 2.430264 -0.454765
C -4.900223 -1.854613 0.919129
C -5.751463 0.002014 -0.427618
C -5.992368 -1.149446 0.358313
H 3.437413 2.049024 1.645732
H 1.839154 2.207756 0.846416
H 0.730534 -2.407528 -0.040429
H 4.862328 0.083193 1.246643
H 0.959533 1.993695 -1.368602
H 2.807305 -3.681934 0.561493
H 4.901213 -2.420711 1.192317
H -2.726004 -1.947105 1.129010
H -4.259457 1.337621 -1.266315
H -5.080435 -2.746130 1.529939
H -6.591093 0.552455 -0.865775
H -7.018203 -1.492604 0.531727
H 5.311276 2.967292 -1.073905


