%chk=000221304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221304

0 1
O 2.188929 2.732754 0.477629
O 3.780312 -1.148933 0.626590
O 1.580540 4.292946 -1.044740
O 3.934806 -2.249263 -1.346143
C 0.980174 1.011811 -0.768583
C -0.427257 0.683185 -1.304613
C -1.377525 0.090877 -0.256695
C -2.749354 -0.226510 -0.868586
C 1.715991 -0.258782 -0.311773
C -3.705149 -0.818477 0.175948
C 0.895832 2.061675 0.350061
C -5.076346 -1.136128 -0.435868
C 3.189730 0.015496 -0.028824
C -6.032700 -1.727840 0.608063
C -7.404727 -2.046066 -0.002897
C -8.361082 -2.635216 1.031683
C 2.416942 3.855336 -0.291906
C 4.111662 -2.236036 -0.150823
C 3.787676 4.361413 -0.008192
C 4.690717 -3.294390 0.722823
H 1.559128 1.468405 -1.615397
H -0.329947 -0.020090 -2.156605
H -0.872794 1.603007 -1.736133
H -0.938948 -0.829791 0.175027
H -1.500951 0.793021 0.589403
H -2.631384 -0.932943 -1.713065
H -3.189941 0.691284 -1.304056
H 1.632771 -1.043988 -1.093769
H 1.236865 -0.688665 0.589588
H -3.825268 -0.112560 1.020260
H -3.266176 -1.737084 0.610864
H 0.116306 2.820719 0.155975
H 0.771224 1.627036 1.356620
H -4.957302 -1.842391 -1.280137
H -5.516031 -0.218052 -0.871293
H 3.764234 0.240303 -0.943017
H 3.347583 0.800613 0.736993
H -5.594985 -2.646206 1.044233
H -6.153468 -1.022771 1.452776
H -7.844999 -1.127591 -0.438111
H -7.285865 -2.753272 -0.847033
H -8.531178 -1.943294 1.864338
H -7.972488 -3.568126 1.455539
H -9.337023 -2.858766 0.586535
H 4.302108 3.777361 0.771234
H 3.753424 5.411124 0.325228
H 4.409957 4.332834 -0.916880
H 5.714179 -3.545826 0.403118
H 4.095912 -4.219041 0.660597
H 4.732491 -2.990305 1.780814


%chk=000221304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221304

0 1
O 2.180800 2.839773 0.535319
O 3.902055 -1.230188 0.713090
O 1.736412 4.237600 -1.282217
O 4.238031 -2.049250 -1.447870
C 1.015953 0.971075 -0.694679
C -0.387667 0.574652 -1.241581
C -1.391783 0.035300 -0.194642
C -2.764023 -0.304553 -0.819170
C 1.762659 -0.254004 -0.099529
C -3.785599 -0.851239 0.203251
C 0.875753 2.142830 0.302013
C -5.162381 -1.171655 -0.421524
C 3.258792 -0.003379 0.144156
C -6.186716 -1.718962 0.598002
C -7.565810 -2.030678 -0.027096
C -8.583842 -2.574894 0.998521
C 2.493576 3.880540 -0.351206
C 4.345110 -2.185968 -0.206507
C 3.839241 4.488287 -0.019016
C 4.962766 -3.372940 0.502265
H 1.595295 1.350247 -1.562159
H -0.247528 -0.191995 -2.030297
H -0.832114 1.458901 -1.742648
H -0.981841 -0.872961 0.291015
H -1.542121 0.783194 0.611015
H -2.621659 -1.049461 -1.630058
H -3.180443 0.603951 -1.302805
H 1.665759 -1.102025 -0.804156
H 1.290638 -0.560737 0.853521
H -3.918733 -0.111350 1.020428
H -3.375816 -1.767480 0.677847
H 0.153141 2.887084 -0.078511
H 0.582579 1.802031 1.308637
H -5.030082 -1.909875 -1.240213
H -5.571619 -0.254290 -0.894526
H 3.772655 0.259108 -0.798815
H 3.437590 0.769113 0.905199
H -5.782036 -2.640016 1.067828
H -6.316927 -0.983338 1.419499
H -7.968487 -1.110104 -0.497169
H -7.435788 -2.766249 -0.847139
H -8.755333 -1.844647 1.812044
H -8.217740 -3.511074 1.461031
H -9.560299 -2.790487 0.526770
H 4.272612 4.037916 0.885397
H 3.723620 5.576471 0.123318
H 4.526836 4.342787 -0.870848
H 6.002389 -3.505394 0.155685
H 4.409923 -4.289568 0.232016
H 4.948805 -3.239301 1.593314


