%chk=000289937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289937

0 1
O -0.305184 1.705759 1.866175
O 2.493386 2.182760 0.958275
O -6.632393 -0.742125 0.839746
N 2.201106 -0.012130 0.268235
N -1.060710 1.235821 -1.400590
N -0.320475 2.068097 -0.490130
C -0.209747 -0.226608 0.390918
C 0.219326 1.249558 0.631772
C -1.231949 -0.140003 -0.772411
C 1.092062 -0.981860 0.037741
C 3.631434 -0.393103 0.125271
C 1.775902 1.260182 0.636196
C 4.005180 -1.501042 1.131674
C 3.934838 -0.832605 -1.322238
C -2.661122 -0.260452 -0.292331
C 5.490620 -1.857259 0.987593
C 5.420826 -1.190184 -1.457913
C 5.830350 -2.273677 -0.450419
C -0.295554 1.157996 -2.685892
C -3.535460 -1.135616 -0.964428
C -3.136421 0.493234 0.788645
C -4.856698 -1.272435 -0.556537
C -4.461216 0.375438 1.218968
C -5.308110 -0.508056 0.539702
C -7.219785 0.003470 1.932957
H -0.673788 -0.650388 1.308930
H -1.028495 -0.939464 -1.526978
H 1.225981 -1.875487 0.683017
H 1.101482 -1.329436 -1.016778
H 4.230464 0.533691 0.361144
H -0.972360 2.791490 -0.129880
H 3.385705 -2.402048 0.969401
H 3.791795 -1.161946 2.163179
H 3.671489 -0.020478 -2.026129
H 3.313124 -1.701496 -1.604956
H 5.748354 -2.673575 1.688382
H 6.115366 -0.992499 1.286130
H 6.040758 -0.284284 -1.308499
H 5.629826 -1.533787 -2.488454
H 6.914266 -2.476938 -0.536780
H 5.320480 -3.225019 -0.695274
H 0.250314 2.439280 2.236609
H -0.915482 0.627523 -3.423889
H 0.691151 0.679393 -2.612276
H -0.135541 2.185155 -3.061583
H -3.179526 -1.713130 -1.817571
H -2.466543 1.183570 1.311906
H -5.546241 -1.943945 -1.061799
H -4.809472 0.966287 2.058941
H -7.193387 1.075893 1.719317
H -6.715209 -0.238700 2.872505
H -8.251318 -0.372222 1.931807


%chk=000289937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289937

0 1
O -0.357391 1.686109 1.840615
O 2.376149 2.086145 1.161968
O -6.851309 -0.433515 0.837897
N 2.173505 -0.100113 0.261882
N -0.993685 0.957291 -1.515607
N -0.373498 1.868572 -0.567520
C -0.229584 -0.379827 0.364012
C 0.160843 1.106945 0.611003
C -1.304410 -0.329049 -0.764684
C 1.106732 -1.078096 -0.051473
C 3.618313 -0.397522 0.151728
C 1.700609 1.115753 0.699665
C 4.048290 -1.563772 1.077324
C 4.039989 -0.664957 -1.316065
C -2.747648 -0.352262 -0.270355
C 5.575565 -1.799340 0.982606
C 5.566679 -0.903897 -1.408681
C 6.016732 -2.055767 -0.478465
C -0.169328 0.798807 -2.739376
C -3.728470 -1.059992 -1.015063
C -3.165954 0.347514 0.888100
C -5.079328 -1.072017 -0.626057
C -4.520955 0.350506 1.291730
C -5.481447 -0.360942 0.532073
C -7.316994 0.293274 2.020505
H -0.620619 -0.820019 1.293620
H -1.168932 -1.168098 -1.472665
H 1.268035 -2.011890 0.517127
H 1.114000 -1.333261 -1.127801
H 4.122361 0.526705 0.499800
H -1.070011 2.547121 -0.221213
H 3.523350 -2.494459 0.778159
H 3.753129 -1.337361 2.119356
H 3.741505 0.193564 -1.947424
H 3.508490 -1.560337 -1.700548
H 5.863440 -2.652003 1.626917
H 6.107325 -0.908315 1.374654
H 6.098063 0.026265 -1.120917
H 5.849567 -1.121991 -2.456290
H 7.115753 -2.177484 -0.528368
H 5.571858 -3.008624 -0.833668
H 0.352462 2.300280 2.182473
H -0.707996 0.138135 -3.441922
H 0.851952 0.389603 -2.562562
H -0.057542 1.788623 -3.209298
H -3.429343 -1.608247 -1.917551
H -2.436708 0.898779 1.492297
H -5.836436 -1.619302 -1.195911
H -4.808794 0.903182 2.191294
H -7.129383 1.380758 1.925829
H -6.835351 -0.085619 2.943293
H -8.400180 0.106746 2.064959


