%chk=000238470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238470

0 1
O -2.433844 -2.422413 0.511413
O -1.838551 -1.727103 -1.559943
N 5.445849 0.199348 -0.165583
C -1.050083 -0.531390 0.455877
C 0.444147 -0.574616 0.077280
C 1.276679 0.358493 0.966954
C -1.657419 0.831416 0.206803
C -1.787137 -1.583747 -0.362066
C 2.726811 0.303119 0.575460
C -1.859603 1.298616 -1.100653
C -2.002661 1.642867 1.297415
C 3.615691 -0.557661 1.236364
C 3.216539 1.109369 -0.463388
C -2.399651 2.568886 -1.312793
C -2.541668 2.914080 1.078579
C -2.739624 3.379847 -0.224713
C -3.214265 -3.532562 -0.038300
C 4.960993 -0.578423 0.837517
C 4.575535 1.027975 -0.801145
C -2.287845 -4.646895 -0.476647
H -1.157050 -0.798950 1.543302
H 0.570050 -0.295089 -0.990274
H 0.822697 -1.613311 0.164598
H 0.893280 1.399515 0.885031
H 1.148108 0.086785 2.034572
H -1.606588 0.660401 -1.951660
H -1.856603 1.287403 2.315635
H 3.273708 -1.199873 2.042958
H 2.556117 1.785745 -1.000149
H -2.557966 2.926622 -2.329447
H -2.809536 3.541616 1.927275
H -3.159969 4.369579 -0.392585
H -3.837741 -3.798822 0.834685
H -3.836709 -3.146002 -0.864765
H 5.688056 -1.235609 1.328757
H 4.998214 1.640761 -1.606026
H -2.847903 -5.546716 -0.757755
H -1.689866 -4.345693 -1.350411
H -1.584592 -4.925269 0.318330


%chk=000238470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238470

0 1
O -2.553514 -2.422059 0.485849
O -1.647090 -1.810292 -1.576352
N 5.554694 0.310213 -0.275056
C -1.009479 -0.572432 0.475720
C 0.503922 -0.598820 0.101767
C 1.345745 0.367813 0.977437
C -1.647655 0.803289 0.234969
C -1.742508 -1.641481 -0.337548
C 2.807750 0.364630 0.566776
C -1.733376 1.347285 -1.073166
C -2.140055 1.560816 1.326510
C 3.761584 -0.470717 1.201678
C 3.272340 1.173152 -0.502630
C -2.293465 2.627001 -1.279374
C -2.699351 2.843125 1.121098
C -2.775661 3.381483 -0.183607
C -3.343536 -3.505361 -0.185935
C 5.102654 -0.465927 0.755288
C 4.631177 1.115106 -0.883379
C -2.507857 -4.781513 -0.315212
H -1.126572 -0.833417 1.542706
H 0.617230 -0.337873 -0.966401
H 0.891944 -1.629719 0.217683
H 0.927643 1.387522 0.885181
H 1.248688 0.069637 2.039739
H -1.382019 0.756781 -1.927146
H -2.087262 1.145301 2.340427
H 3.467734 -1.115316 2.038320
H 2.585478 1.846037 -1.029184
H -2.358840 3.034270 -2.294721
H -3.074212 3.417625 1.975668
H -3.209386 4.374617 -0.345637
H -4.211002 -3.640285 0.479340
H -3.670908 -3.136353 -1.173650
H 5.854840 -1.102851 1.235342
H 5.009679 1.734424 -1.704880
H -3.128755 -5.592488 -0.739049
H -1.649319 -4.619230 -0.988109
H -2.135681 -5.111696 0.670040


