%chk=000229895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229895

0 1
O -1.732903 0.388403 0.410862
O -0.911434 -0.045104 -1.678102
C 4.266011 -0.312358 -0.325822
C 3.057951 0.459946 0.221574
C 5.576927 0.186230 0.296389
C 1.751317 -0.041080 -0.404926
C 6.786421 -0.585739 -0.249822
C 0.544071 0.725335 0.147774
C 8.094567 -0.093762 0.365270
C -0.720018 0.300052 -0.543777
C -3.082501 0.110787 0.169593
C -3.612288 -0.326396 -1.045121
C -3.874422 0.319760 1.311990
C -4.990251 -0.561410 -1.111399
C -5.243464 0.076828 1.215389
C -5.803308 -0.362688 0.007676
H 4.143628 -1.395017 -0.127792
H 4.310508 -0.211504 -1.427884
H 3.015029 0.357510 1.323485
H 3.184079 1.542194 0.023029
H 5.535749 0.086002 1.398065
H 5.703142 1.267974 0.097895
H 1.628374 -1.126157 -0.214239
H 1.788862 0.065505 -1.509654
H 6.663820 -1.668379 -0.050189
H 6.830989 -0.485107 -1.352077
H 0.453932 0.584029 1.247928
H 0.672835 1.821405 0.003671
H 8.099902 -0.214830 1.454472
H 8.951701 -0.650368 -0.030267
H 8.267159 0.967466 0.152903
H -2.976409 -0.481693 -1.919427
H -3.415765 0.660720 2.236569
H -5.428151 -0.903377 -2.049345
H -5.881330 0.230243 2.085477
H -6.872933 -0.549024 -0.056566


%chk=000229895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229895

0 1
O -1.832696 0.302233 0.502480
O -0.867929 -0.595136 -1.453765
C 4.372322 -0.319379 -0.346711
C 3.103952 0.264638 0.315342
C 5.684151 0.196144 0.286613
C 1.798081 -0.232868 -0.342115
C 6.953137 -0.397236 -0.367189
C 0.545948 0.338946 0.351030
C 8.259701 0.130254 0.264230
C -0.751277 -0.055277 -0.334867
C -3.218725 0.126186 0.190703
C -3.733333 -0.423971 -1.007441
C -4.075845 0.569262 1.223934
C -5.137860 -0.520364 -1.150014
C -5.472233 0.462945 1.061287
C -6.010202 -0.082896 -0.128699
H 4.343544 -1.427070 -0.280193
H 4.366739 -0.073594 -1.429132
H 3.102488 0.002627 1.394332
H 3.143578 1.373294 0.264500
H 5.687746 -0.040863 1.371359
H 5.718573 1.303387 0.210894
H 1.761855 -1.339382 -0.313468
H 1.783925 0.046549 -1.412624
H 6.921433 -1.503023 -0.285527
H 6.945219 -0.166097 -1.452046
H 0.490224 0.024170 1.410166
H 0.587574 1.447411 0.372186
H 8.305189 -0.113410 1.342625
H 9.150938 -0.310310 -0.219436
H 8.331088 1.230146 0.166618
H -3.062553 -0.764707 -1.796108
H -3.635109 0.988227 2.133567
H -5.546081 -0.944630 -2.074064
H -6.136994 0.805729 1.861532
H -7.094770 -0.165539 -0.256400


