%chk=000248790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248790

0 1
O 5.526007 -0.183872 0.846097
O -6.220156 0.434105 -0.424984
C 2.209038 0.122109 0.035709
C 1.361423 -1.043905 -0.562807
C -0.011669 -1.143330 0.120196
C 3.606711 -0.153923 -0.602894
C 1.504059 1.450811 -0.351510
C 2.286148 -2.269456 -0.486856
C -0.666242 0.226932 0.180638
C 3.709465 -1.699999 -0.672139
C -2.142225 0.271465 0.592654
C -0.901386 -2.155406 -0.618715
C 0.033543 1.358402 -0.004651
C 2.325402 0.058558 1.567461
C -2.258286 -2.268717 0.075693
C -2.950970 -0.937243 0.118927
C 1.642071 1.824025 -1.832777
C -2.808104 1.556795 0.024435
C 4.758890 0.466592 0.171759
C -2.184788 0.276776 2.135824
C -4.303867 1.640576 0.312519
C -4.254824 -0.851028 -0.194495
C 4.917658 1.956230 0.025562
C -5.040237 0.396234 -0.142111
H 1.184366 -0.816276 -1.646125
H 0.127329 -1.494741 1.175773
H 3.625833 0.256246 -1.640619
H 1.957168 2.277806 0.254664
H 2.043340 -3.013958 -1.260572
H 2.193361 -2.787022 0.482958
H 4.390084 -2.077122 0.117055
H 4.147149 -2.015430 -1.631967
H -0.406807 -3.144597 -0.651750
H -1.040190 -1.848227 -1.674107
H -0.437642 2.339155 0.081587
H 2.789767 -0.880985 1.893012
H 2.938960 0.872868 1.967208
H 1.347754 0.129337 2.056208
H -2.135099 -2.647049 1.113669
H -2.881003 -3.030661 -0.437852
H 1.194690 1.060494 -2.482251
H 1.132437 2.769465 -2.050884
H 2.691272 1.938374 -2.126252
H -2.641490 1.587987 -1.072208
H -2.306132 2.454385 0.437544
H -1.686214 -0.603659 2.555396
H -1.681920 1.162278 2.540518
H -3.215031 0.281653 2.509749
H -4.745347 2.532895 -0.177332
H -4.494995 1.785801 1.396066
H -4.831543 -1.720190 -0.517636
H 5.354298 2.213272 -0.948072
H 3.962792 2.491054 0.110129
H 5.597054 2.356915 0.792460


%chk=000248790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248790

0 1
O 5.512682 -0.016007 0.983708
O -6.234149 0.621047 -0.788196
C 2.216784 0.139419 0.074453
C 1.386453 -1.070526 -0.459767
C -0.025147 -1.162688 0.153493
C 3.630866 -0.179498 -0.572327
C 1.497249 1.450912 -0.377233
C 2.313591 -2.295905 -0.281399
C -0.701468 0.213981 0.196892
C 3.753511 -1.736918 -0.512961
C -2.193442 0.260259 0.640240
C -0.897412 -2.174809 -0.633957
C 0.003300 1.353482 -0.057903
C 2.330388 0.128200 1.623110
C -2.328172 -2.252756 -0.059003
C -2.993390 -0.891547 -0.002351
C 1.676864 1.852935 -1.869088
C -2.856106 1.624874 0.283146
C 4.802829 0.544202 0.103568
C -2.222474 0.058082 2.199527
C -4.387629 1.637730 0.462895
C -4.275063 -0.729602 -0.465516
C 5.081431 1.982771 -0.319192
C -5.056751 0.514032 -0.325401
H 1.255029 -0.906431 -1.551906
H 0.064527 -1.550598 1.193914
H 3.589436 0.152558 -1.627653
H 1.892836 2.293987 0.232103
H 2.070125 -3.112278 -0.984199
H 2.211742 -2.707894 0.741142
H 4.437798 -2.019669 0.305180
H 4.191160 -2.120582 -1.451855
H -0.427454 -3.175872 -0.601083
H -0.942324 -1.865024 -1.697205
H -0.510829 2.322313 -0.039248
H 2.813096 -0.791480 1.995593
H 2.944201 0.977876 1.974980
H 1.337586 0.223258 2.095907
H -2.268092 -2.668019 0.970304
H -2.950870 -2.952657 -0.645029
H 1.404833 1.025067 -2.548762
H 1.015350 2.704712 -2.112090
H 2.712461 2.164075 -2.095230
H -2.624243 1.862554 -0.773311
H -2.412464 2.425812 0.904243
H -1.761806 -0.900034 2.496777
H -1.658709 0.873201 2.687517
H -3.258805 0.064258 2.581895
H -4.821085 2.601764 0.143145
H -4.660500 1.508993 1.530577
H -4.802826 -1.569814 -0.935722
H 5.339047 2.021768 -1.395140
H 4.183163 2.613203 -0.181539
H 5.914775 2.396082 0.269860


