%chk=000291366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291366

0 1
S 5.224899 1.323447 0.601740
S -5.072622 1.709324 -0.164133
O -1.093276 -3.468129 -0.830730
N 0.109772 -2.810401 -0.616948
C 1.293749 -0.817206 -0.155346
C -1.235772 -0.721999 -0.294920
C 0.004338 -1.532027 -0.372848
C 1.574895 0.338602 -0.898753
C -2.295577 -0.957138 -1.188448
C 2.224009 -1.292192 0.784063
C -1.358925 0.280725 0.679040
C 3.692383 0.546189 0.238364
C -3.565059 0.808853 -0.139985
C 2.777531 1.023456 -0.701410
C -3.458772 -0.191166 -1.116080
C 3.424707 -0.609981 0.983545
C -2.525098 1.047475 0.759308
C 5.428034 2.631244 -0.623147
C -5.020561 2.818651 1.256536
H 0.854046 0.703985 -1.631141
H -2.208831 -1.750351 -1.935125
H 2.009016 -2.199192 1.351087
H -0.542014 0.463802 1.378783
H 2.979380 1.919440 -1.285055
H -4.275124 -0.381294 -1.814344
H 4.144422 -0.985296 1.712664
H -2.600807 1.819173 1.522517
H 4.672354 3.417942 -0.521140
H 5.410743 2.246219 -1.649192
H 6.414918 3.085261 -0.450102
H -4.918457 2.276656 2.203670
H -5.978066 3.359616 1.279008
H -4.216795 3.559025 1.177118
H -0.794942 -4.430913 -0.962297


%chk=000291366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291366

0 1
S 5.537748 1.134483 0.295513
S -5.220723 1.732828 -0.291315
O -1.195716 -3.548502 -0.462430
N 0.109677 -2.884422 -0.375573
C 1.323394 -0.873027 -0.116368
C -1.255894 -0.765803 -0.268885
C 0.006132 -1.562086 -0.264936
C 1.519092 0.447554 -0.599842
C -2.335783 -1.052870 -1.151164
C 2.433215 -1.538593 0.478862
C -1.407300 0.319647 0.635561
C 3.866619 0.413423 0.097100
C -3.646762 0.801702 -0.223163
C 2.773268 1.086346 -0.496936
C -3.506868 -0.275631 -1.137807
C 3.683932 -0.908503 0.586080
C -2.587190 1.091627 0.668893
C 5.352110 2.824447 -0.497578
C -5.016454 2.985418 1.090535
H 0.688912 0.978802 -1.076966
H -2.254520 -1.890475 -1.847553
H 2.297597 -2.556637 0.855601
H -0.596397 0.557554 1.332553
H 2.882604 2.101669 -0.889880
H -4.320822 -0.511326 -1.832652
H 4.521640 -1.438505 1.053512
H -2.665203 1.910016 1.391114
H 4.606836 3.429992 0.041453
H 5.084276 2.727939 -1.561287
H 6.342402 3.297050 -0.409164
H -4.882909 2.477812 2.058523
H -5.955415 3.559830 1.102956
H -4.173908 3.663448 0.883214
H -0.929091 -4.503405 -0.491672


