%chk=000268594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268594

0 1
O -3.776672 -1.140087 -0.117674
O 3.398042 -3.065935 -0.367763
O -1.782096 4.055869 -0.363909
O -0.106679 4.341363 0.968425
O -1.943448 -2.163394 0.728453
N -0.758702 3.671224 0.178519
C -1.180523 1.492122 -1.003980
C -2.209852 0.736418 -0.153783
C -0.266483 2.304936 -0.139022
C -2.952117 -0.304610 -0.985308
C 0.929845 1.929014 0.354880
C 1.575489 0.631373 0.155380
C 0.877670 -0.585378 0.318250
C 2.941701 0.603287 -0.174394
C 1.522209 -1.799707 0.139543
C 3.608403 -0.606710 -0.371434
C 2.889776 -1.800359 -0.211955
C -3.148517 -2.057169 0.695808
C -4.178922 -2.813808 1.456109
C 4.798532 -3.200913 -0.714187
H -1.702901 2.147442 -1.738585
H -0.574586 0.782070 -1.609810
H -2.925108 1.445140 0.309395
H -1.691289 0.225580 0.693207
H -2.270672 -0.962462 -1.553274
H -3.719017 0.132981 -1.650433
H 1.516162 2.646089 0.958617
H -0.185595 -0.582147 0.603319
H 3.492436 1.538408 -0.289812
H 0.992302 -2.744478 0.267576
H 4.659912 -0.608364 -0.637573
H -4.118543 -3.890758 1.230802
H -5.203948 -2.479319 1.226217
H -4.024948 -2.702187 2.541551
H 4.910994 -4.292451 -0.763323
H 4.995284 -2.742791 -1.687472
H 5.427760 -2.777988 0.074038


%chk=000268594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268594

0 1
O -4.044762 -0.983758 0.240041
O 3.574577 -3.164077 -0.398595
O -1.827025 4.137722 -0.260957
O 0.291503 4.505143 0.499189
O -2.112365 -2.283168 0.116091
N -0.617364 3.733397 -0.009422
C -1.418316 1.547566 -0.978588
C -2.410361 0.905560 0.031641
C -0.301755 2.316526 -0.318522
C -3.406741 -0.010843 -0.700180
C 0.967936 1.897516 0.005508
C 1.584064 0.578289 -0.109550
C 0.882629 -0.662678 -0.267657
C 3.008213 0.519267 -0.016169
C 1.573682 -1.877071 -0.353868
C 3.715843 -0.691028 -0.118302
C 2.992997 -1.901107 -0.293745
C -3.268911 -2.098058 0.569300
C -4.005283 -3.019891 1.514652
C 5.038194 -3.258920 -0.328166
H -1.973517 2.231580 -1.644854
H -0.967761 0.757728 -1.606729
H -2.943571 1.698721 0.583883
H -1.845318 0.308593 0.769275
H -2.898421 -0.588223 -1.494879
H -4.259560 0.543986 -1.121297
H 1.618024 2.690977 0.401416
H -0.207791 -0.709452 -0.275278
H 3.567862 1.451568 0.127107
H 1.030339 -2.821119 -0.451810
H 4.807638 -0.686124 -0.053734
H -4.096650 -4.018974 1.054194
H -5.003821 -2.628959 1.755662
H -3.417792 -3.140055 2.441410
H 5.258683 -4.330421 -0.435948
H 5.515255 -2.693224 -1.151024
H 5.415546 -2.894688 0.646303


