%chk=000225272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225272

0 1
S 0.122988 -1.513754 -0.597326
O -0.389287 -2.812113 -0.083433
C -0.735163 -0.193364 0.403304
C -2.221343 -0.337899 0.244908
C -0.200254 1.128837 -0.050240
C 1.762012 -1.326246 0.084671
C 2.742219 -0.626945 -0.627386
C -3.039774 -0.052963 1.353136
C 0.814057 1.750179 0.702174
C -2.817613 -0.733927 -0.961976
C -0.677132 1.764183 -1.208102
C 2.059717 -1.955617 1.294934
C 4.035287 -0.532889 -0.075829
C -4.427697 -0.165795 1.253823
C 1.342814 2.976911 0.296707
C -4.208578 -0.849306 -1.053700
C -0.144677 2.992764 -1.608847
C 2.456432 0.021398 -1.941316
C 3.344547 -1.862093 1.832674
C -5.017038 -0.564898 0.049655
C 0.867214 3.601310 -0.861250
C 4.329509 -1.143046 1.143573
H -0.475850 -0.363569 1.480109
H -2.591880 0.257691 2.295208
H 1.195865 1.271601 1.603526
H -2.213613 -0.971355 -1.836262
H -1.477177 1.311170 -1.793022
H 1.288568 -2.537553 1.811240
H 4.810503 0.014786 -0.607374
H -5.052282 0.055147 2.117929
H 2.127158 3.449455 0.886590
H -4.661267 -1.168237 -1.991470
H -0.526376 3.479428 -2.505460
H 3.372168 0.305570 -2.478016
H 1.870858 0.947487 -1.808399
H 1.889290 -0.632027 -2.619296
H 3.581289 -2.350253 2.775155
H -6.098084 -0.657541 -0.025369
H 1.278163 4.558884 -1.173703
H 5.333823 -1.065513 1.559958


%chk=000225272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225272

0 1
S 0.036281 -1.727529 -0.264645
O -0.453428 -2.819437 0.900728
C -0.909839 0.046267 0.495056
C -2.362163 -0.223480 0.233024
C -0.248884 1.292675 -0.000827
C 1.837097 -1.367476 0.220346
C 2.734246 -0.752802 -0.688534
C -3.237843 -0.377187 1.340276
C 0.916885 1.755185 0.679085
C -2.895808 -0.374702 -1.077681
C -0.735946 2.065375 -1.093994
C 2.221634 -1.829847 1.491676
C 4.072286 -0.588471 -0.239849
C -4.613307 -0.631138 1.148390
C 1.584816 2.926311 0.268224
C -4.267834 -0.637795 -1.270560
C -0.066575 3.238280 -1.504418
C 2.318385 -0.293218 -2.074337
C 3.555176 -1.641900 1.915160
C -5.135243 -0.756134 -0.158999
C 1.100611 3.671950 -0.832454
C 4.478429 -1.014721 1.045094
H -0.645165 -0.163128 1.544959
H -2.834203 -0.298485 2.356104
H 1.296163 1.187856 1.536718
H -2.229729 -0.333735 -1.947494
H -1.657594 1.771013 -1.602756
H 1.472454 -2.352773 2.100986
H 4.800213 -0.122492 -0.914840
H -5.272133 -0.744241 2.016298
H 2.478256 3.258928 0.807964
H -4.659589 -0.763095 -2.286218
H -0.463054 3.821563 -2.343211
H 3.203456 -0.077182 -2.696225
H 1.709022 0.628244 -2.026735
H 1.715537 -1.060275 -2.594715
H 3.873348 -1.992498 2.902929
H -6.200643 -0.961763 -0.310789
H 1.615547 4.584628 -1.152174
H 5.518535 -0.872873 1.359941


