%chk=000235498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235498

0 1
O -5.254276 0.787131 -0.516512
O 5.745143 0.395607 0.105542
N 3.761600 -0.709694 -0.015760
C -2.789767 0.470571 -0.186968
C -2.013050 -0.810256 0.247210
C -0.555233 -0.776601 -0.230383
C 0.141351 0.465248 0.391052
C -4.255746 0.086473 0.244819
C -2.141794 1.664477 0.532135
C -2.910104 -1.970880 -0.218729
C 1.607006 0.584142 -0.143722
C -0.653061 1.769093 0.157403
C -4.348364 -1.446587 -0.028220
C 0.185788 -2.056609 0.198530
C -2.765312 0.707066 -1.706068
C 2.327382 -0.759659 0.021239
C 2.347071 1.647698 0.703531
C -4.627997 0.456373 1.676338
C 1.674177 -1.929328 0.154241
C 1.631767 0.944421 -1.638649
C 3.809588 1.783903 0.301800
C 4.524852 0.464698 0.135674
C 4.513131 -1.982917 -0.180108
H -1.995342 -0.835498 1.368351
H -0.519558 -0.698182 -1.342760
H 0.198849 0.296414 1.495650
H -2.243742 1.562766 1.628327
H -2.665129 2.601785 0.265864
H -2.730203 -2.885769 0.366852
H -2.715891 -2.233989 -1.271627
H -0.571668 2.073026 -0.905959
H -0.192111 2.589063 0.741045
H -4.971121 -1.641208 -0.915672
H -4.852718 -1.964242 0.803382
H -0.135392 -2.899280 -0.447810
H -0.110208 -2.344235 1.231029
H -1.747191 0.904468 -2.063719
H -3.135185 -0.158431 -2.264008
H -3.373746 1.580195 -1.971904
H 2.277707 1.375293 1.776490
H 1.842567 2.629120 0.607709
H -4.628310 1.546343 1.809447
H -5.649444 0.123644 1.905765
H -3.948675 0.010666 2.407498
H 2.194708 -2.878393 0.264318
H 1.239393 1.950631 -1.818577
H 2.646394 0.906600 -2.051088
H 1.024427 0.239368 -2.221190
H -5.194898 0.588651 -1.467985
H 4.366393 2.389589 1.050387
H 3.908298 2.348908 -0.651486
H 5.594157 -1.770427 -0.314133
H 4.160883 -2.528754 -1.069554
H 4.407107 -2.622092 0.711061


%chk=000235498-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235498

0 1
O -5.364284 0.878268 -0.364970
O 5.846228 0.391386 0.088369
N 3.790066 -0.716589 0.019645
C -2.841002 0.474273 -0.215398
C -2.040262 -0.799682 0.183879
C -0.560557 -0.776772 -0.250558
C 0.139599 0.497151 0.319674
C -4.293352 0.086269 0.283254
C -2.167141 1.691094 0.458082
C -2.937455 -1.975453 -0.283210
C 1.636711 0.606940 -0.154730
C -0.674600 1.797086 0.043111
C -4.395218 -1.447454 -0.076839
C 0.174742 -2.044380 0.238812
C -2.896641 0.684977 -1.755110
C 2.350443 -0.740612 0.050126
C 2.381595 1.655811 0.724517
C -4.547318 0.339575 1.779017
C 1.680480 -1.920261 0.213501
C 1.738775 1.005301 -1.661144
C 3.861745 1.775992 0.330104
C 4.578138 0.443727 0.140339
C 4.516837 -1.998194 -0.101366
H -2.027330 -0.822088 1.297641
H -0.506016 -0.756092 -1.358456
H 0.169973 0.360770 1.425944
H -2.223445 1.584300 1.559440
H -2.696742 2.628492 0.197086
H -2.746912 -2.900843 0.288344
H -2.744751 -2.208332 -1.348343
H -0.614133 2.058667 -1.029641
H -0.219436 2.643413 0.592227
H -5.007525 -1.581017 -0.989170
H -4.916489 -1.991708 0.730320
H -0.137778 -2.917239 -0.369766
H -0.152804 -2.277615 1.277517
H -1.892134 0.752939 -2.203538
H -3.419158 -0.140868 -2.274683
H -3.421940 1.629451 -1.988197
H 2.297556 1.352926 1.787134
H 1.898613 2.645080 0.629497
H -4.527020 1.419878 2.001025
H -5.549647 -0.039833 2.042902
H -3.803638 -0.171374 2.415232
H 2.239070 -2.850194 0.368865
H 1.495831 2.072911 -1.811991
H 2.756032 0.833091 -2.053262
H 1.048010 0.402565 -2.276399
H -5.373870 0.667363 -1.332571
H 4.439979 2.338307 1.084493
H 3.973223 2.339580 -0.616262
H 5.578982 -1.762594 -0.263520
H 4.119338 -2.578010 -0.952456
H 4.421132 -2.599978 0.821583


