%chk=000258671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258671

0 1
O -3.225942 1.175548 0.990156
O 2.119765 -0.612396 1.603197
N -2.072816 -0.644157 -0.873565
N 0.497564 0.381848 0.290777
N 2.832758 0.507167 -0.302246
C -1.442558 0.663508 -1.260754
C -1.370879 -1.290932 0.283921
C 0.088933 0.591607 -1.133852
C -0.542475 -0.302416 1.119610
C -3.501994 -0.501665 -0.640595
C 1.845399 0.011602 0.589348
C -4.116545 0.392016 0.283148
C -4.329734 -1.330810 -1.405672
C -5.505684 0.445052 0.426566
C -5.722731 -1.282730 -1.263646
C -6.303427 -0.400950 -0.353521
C 4.245011 0.349364 -0.130789
C 5.076218 1.011530 -1.060726
C 4.807328 -0.440469 0.886981
C -3.762254 2.118515 1.950254
C 6.460649 0.869519 -0.961749
C 6.194279 -0.566177 0.965326
C 7.026002 0.083214 0.046698
H -1.829276 1.522696 -0.662310
H -1.722210 0.847269 -2.322015
H -0.710703 -2.070095 -0.163233
H -2.090742 -1.828072 0.936147
H 0.479483 -0.220301 -1.790012
H 0.526686 1.555504 -1.478234
H -1.199009 0.500419 1.536678
H -0.067436 -0.819472 1.986417
H -3.873977 -2.020878 -2.119877
H 2.549315 1.139699 -1.052219
H -5.974425 1.125406 1.130015
H -6.347449 -1.937034 -1.867682
H -7.387050 -0.364680 -0.243525
H 4.653438 1.626595 -1.849305
H 4.165036 -0.948210 1.615059
H -4.297396 1.589409 2.743941
H -4.397124 2.854069 1.448490
H -2.847012 2.586707 2.336761
H 7.104467 1.378316 -1.678564
H 6.631066 -1.178597 1.754508
H 8.105151 -0.022139 0.117396


%chk=000258671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258671

0 1
O -3.648964 1.019973 1.341678
O 2.364808 -0.369660 1.929533
N -2.010040 -0.382733 -0.449153
N 0.664377 0.220026 0.433803
N 2.910058 0.245837 -0.283763
C -1.324737 0.852631 -0.898339
C -1.473235 -0.980147 0.817227
C 0.199759 0.637515 -0.908709
C -0.376745 -0.093984 1.437158
C -3.444571 -0.371252 -0.604354
C 2.005634 0.007113 0.768469
C -4.303683 0.338885 0.297525
C -4.036839 -1.054494 -1.688564
C -5.706410 0.336574 0.113433
C -5.437716 -1.052011 -1.890078
C -6.267151 -0.359277 -0.983219
C 4.328145 0.149296 -0.253601
C 5.019733 0.430392 -1.465710
C 5.070663 -0.205141 0.905636
C -4.480176 1.749309 2.304513
C 6.425936 0.359767 -1.521292
C 6.478988 -0.270322 0.832063
C 7.169029 0.008352 -0.370091
H -1.572792 1.737549 -0.267090
H -1.652078 1.081151 -1.928591
H -1.058634 -1.984931 0.601753
H -2.284745 -1.097053 1.559918
H 0.436856 -0.142065 -1.665357
H 0.683225 1.590407 -1.213905
H -0.827401 0.837018 1.831045
H 0.123734 -0.611120 2.272058
H -3.367896 -1.597171 -2.364961
H 2.521177 0.507058 -1.190684
H -6.364677 0.875379 0.802121
H -5.872915 -1.591757 -2.737521
H -7.354023 -0.354785 -1.122473
H 4.452896 0.704109 -2.366201
H 4.535734 -0.423622 1.831313
H -5.176216 1.068641 2.831420
H -5.053507 2.556689 1.809428
H -3.771392 2.184874 3.024031
H 6.939811 0.579268 -2.464091
H 7.041632 -0.544704 1.731969
H 8.262047 -0.047185 -0.411044


