%chk=000257228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257228

0 1
O 0.105636 2.113342 -0.195317
O 2.462710 -1.843160 0.571407
O 2.343850 2.274861 -0.327303
O 2.463689 -0.666645 -1.358101
C 1.336162 0.240687 0.647512
C -0.094269 -0.321576 0.815020
C -0.903932 -0.532819 -0.485095
C 1.974508 0.405454 2.055839
C -2.377565 -0.553283 -0.115777
C 1.374005 1.621707 -0.022632
C 2.151104 -0.744826 -0.195068
C -0.507923 -1.800079 -1.247806
C 3.452064 0.772712 2.018571
C -2.978563 -1.697941 0.429103
C -3.150653 0.602209 -0.305991
C -4.335547 -1.689521 0.763067
C -4.507039 0.607959 0.027507
C -0.014434 3.443271 -0.818776
C 3.240675 -2.912738 -0.058543
C -5.103877 -0.538738 0.560890
C -1.450746 3.833887 -0.549988
C 4.696459 -2.507888 -0.148365
H -0.037108 -1.278652 1.373184
H -0.659973 0.382498 1.465493
H -0.719834 0.344797 -1.163388
H 1.405119 1.168606 2.622937
H 1.851266 -0.551553 2.608072
H -0.310700 -2.646485 -0.582884
H 0.391607 -1.636784 -1.856887
H -1.301076 -2.105886 -1.942017
H 3.827689 0.999116 3.022532
H 4.061819 -0.046950 1.616367
H 3.646914 1.656398 1.389861
H -2.388351 -2.597664 0.590866
H -2.684539 1.509426 -0.708624
H -4.795535 -2.582786 1.181985
H -5.100656 1.506823 -0.127847
H 0.727645 4.117449 -0.356937
H 0.215264 3.307973 -1.889708
H 2.798523 -3.132390 -1.046710
H 3.058972 -3.741081 0.650200
H -6.160399 -0.535273 0.818422
H -2.130303 2.978198 -0.736037
H -1.606121 4.133593 0.494236
H -1.768201 4.662562 -1.193274
H 4.830473 -1.661139 -0.840454
H 5.092938 -2.195899 0.825949
H 5.320454 -3.331174 -0.515790


%chk=000257228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257228

0 1
O -0.019858 2.053772 0.281504
O 2.847193 -1.804691 0.453113
O 2.133234 2.081620 -0.590204
O 2.157036 -0.769218 -1.513703
C 1.349670 0.087990 0.674928
C -0.043840 -0.596995 0.916537
C -0.872771 -0.939726 -0.365404
C 2.036055 0.293131 2.074920
C -2.351525 -0.571534 -0.224402
C 1.222893 1.478465 0.019345
C 2.166339 -0.817403 -0.264261
C -0.743697 -2.445675 -0.737204
C 3.444765 0.919097 2.057143
C -3.100927 -0.950059 0.920915
C -3.022528 0.119954 -1.264801
C -4.475737 -0.642555 1.025045
C -4.398875 0.428888 -1.167741
C -0.226274 3.444039 -0.232204
C 3.612935 -2.803281 -0.358255
C -5.132104 0.048911 -0.020113
C -1.648271 3.842046 0.149185
C 5.006454 -2.269166 -0.699994
H 0.146748 -1.517942 1.501537
H -0.618264 0.092501 1.558342
H -0.462463 -0.356145 -1.211790
H 1.350917 0.918870 2.680759
H 2.082552 -0.700199 2.556332
H -1.163375 -3.082308 0.064376
H 0.312831 -2.729772 -0.889931
H -1.293372 -2.668814 -1.669156
H 3.817428 1.029921 3.091940
H 4.155483 0.276582 1.508960
H 3.452037 1.913834 1.580397
H -2.607599 -1.487755 1.740398
H -2.458811 0.418996 -2.157812
H -5.035911 -0.942728 1.918364
H -4.897276 0.963959 -1.984586
H 0.540362 4.098341 0.221598
H -0.064069 3.433184 -1.325122
H 3.036098 -3.027617 -1.273125
H 3.654083 -3.688712 0.296230
H -6.198847 0.287159 0.058865
H -2.379500 3.133117 -0.275344
H -1.775862 3.854428 1.245206
H -1.869957 4.853309 -0.238430
H 4.935516 -1.383412 -1.352764
H 5.561459 -1.998181 0.214915
H 5.581826 -3.047631 -1.234807


