%chk=000231296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231296

0 1
O -2.174340 -2.756007 -1.205306
O -1.220685 -1.065262 -2.310436
N 0.236145 0.204222 0.227712
C -1.133220 0.122529 0.616104
C 0.902865 1.482020 0.232559
C 0.968686 -0.975700 -0.158212
C -2.056079 -0.722837 -0.040244
C -1.573329 0.900759 1.715268
C 2.230769 1.575326 0.690053
C 0.754265 -2.182683 0.533071
C 0.220604 2.627405 -0.219344
C 1.903541 -0.908893 -1.208302
C -3.367744 -0.840185 0.459773
C -2.882097 0.796702 2.166960
C -3.783349 -0.086724 1.551150
C 2.866305 2.817663 0.690293
C 1.478731 -3.317500 0.164159
C 0.873199 3.860732 -0.203694
C 2.620940 -2.053709 -1.555864
C -1.731326 -1.447413 -1.284730
C 2.193004 3.961538 0.248782
C 2.413460 -3.258027 -0.874044
H -0.873234 1.571911 2.214617
H 2.757028 0.688331 1.040374
H 0.030834 -2.236345 1.345257
H -0.801008 2.550827 -0.589923
H 2.050049 0.021518 -1.756813
H -4.058346 -1.532169 -0.030695
H -3.211205 1.397855 3.016446
H -4.800036 -0.177671 1.927184
H 3.895115 2.894642 1.041931
H 1.313286 -4.255095 0.694614
H 0.349342 4.750034 -0.554257
H 3.342395 -2.008272 -2.371650
H 2.695185 4.926183 0.254669
H 2.975713 -4.145910 -1.153592
H -1.977764 -3.268795 -2.033967


%chk=000231296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231296

0 1
O -2.683854 -2.278800 -1.808037
O -0.921755 -0.848305 -2.273189
N 0.264589 0.186856 0.203483
C -1.102557 0.086435 0.611024
C 0.899811 1.473521 0.173079
C 1.012869 -1.007390 -0.087251
C -2.063451 -0.707604 -0.099222
C -1.512275 0.751100 1.800473
C 2.258291 1.625212 0.564240
C 0.817892 -2.173357 0.698421
C 0.167009 2.618223 -0.242939
C 1.950400 -1.030780 -1.151679
C -3.365557 -0.880024 0.449405
C -2.817622 0.604392 2.302750
C -3.748426 -0.233280 1.637694
C 2.864993 2.898193 0.536282
C 1.551494 -3.346220 0.417837
C 0.778989 3.888644 -0.252425
C 2.693336 -2.200171 -1.411103
C -1.787337 -1.245643 -1.456984
C 2.131691 4.039485 0.133962
C 2.498539 -3.366114 -0.632308
H -0.778622 1.361051 2.336513
H 2.829110 0.750360 0.890629
H 0.101719 -2.156099 1.526604
H -0.871171 2.503197 -0.569944
H 2.071683 -0.144751 -1.781090
H -4.074118 -1.509281 -0.095462
H -3.101310 1.118092 3.228031
H -4.757907 -0.369867 2.038395
H 3.912183 2.999899 0.843082
H 1.393456 -4.239988 1.032054
H 0.201449 4.760648 -0.579532
H 3.410779 -2.207890 -2.239385
H 2.606369 5.026314 0.118356
H 3.072565 -4.274957 -0.842811
H -2.475557 -2.560102 -2.739051


