%chk=000244360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244360

0 1
O 1.208768 0.208546 -1.425203
O 1.144527 -1.266544 1.674488
N -0.389966 0.235612 0.975960
N -3.152425 -0.105882 0.222843
N -5.142456 -1.398650 0.458544
C -2.177602 0.426440 -0.784676
C -1.010221 1.122187 -0.031569
C -1.380687 -0.296710 1.954101
C -2.543017 -1.013569 1.244711
C 0.842413 -0.396549 0.865483
C 1.902744 0.121658 -0.159821
C -1.671302 -0.654511 -1.740903
C -4.452862 -0.422960 -0.232186
C 2.336975 1.511089 0.286573
C 3.083278 -0.820323 -0.347184
C -5.066116 0.309397 -1.286313
C 2.208853 2.613660 -0.566140
C 4.326270 -0.295853 -0.739631
C 2.874807 1.676464 1.572255
C 2.938334 -2.207086 -0.204634
C -6.395035 0.046846 -1.598630
C -6.437973 -1.622700 0.130116
C 2.616448 3.879588 -0.134403
C 5.405907 -1.147093 -0.982487
C 3.279746 2.942949 1.998492
C 4.022370 -3.057230 -0.447048
C -7.105333 -0.929298 -0.889217
C 3.151460 4.045820 1.146368
C 5.256086 -2.530649 -0.836906
H -2.708572 1.222294 -1.378965
H -0.256383 1.480867 -0.770966
H -1.396741 2.023609 0.500607
H -1.758836 0.560393 2.556386
H -0.875592 -1.001618 2.658686
H -2.198964 -1.966043 0.785020
H -3.319555 -1.288882 1.999377
H -0.905483 -0.253770 -2.418693
H -1.193452 -1.485241 -1.205258
H -2.481572 -1.073578 -2.346695
H -4.509619 1.070919 -1.824869
H 1.811431 -0.033136 -2.164735
H 1.788326 2.482050 -1.563609
H 4.459676 0.781673 -0.848508
H 2.974904 0.813766 2.235748
H 1.984534 -2.632277 0.121158
H -6.885285 0.602582 -2.398759
H -6.942860 -2.401583 0.715131
H 2.515791 4.736625 -0.798098
H 6.366948 -0.732030 -1.281214
H 3.695484 3.071151 2.997087
H 3.901321 -4.132623 -0.324031
H -8.141813 -1.145460 -1.121049
H 3.467523 5.032113 1.481754
H 6.099598 -3.193448 -1.023192


%chk=000244360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244360

0 1
O 1.518958 0.076856 -1.626483
O 1.381972 -1.415301 1.659460
N -0.349208 -0.259594 0.639583
N -3.139075 -0.397524 -0.003638
N -5.279804 -0.969278 0.801767
C -2.202773 0.203694 -0.984237
C -0.954302 0.759042 -0.241991
C -1.311518 -0.776532 1.644175
C -2.548285 -1.364749 0.949336
C 0.984175 -0.621686 0.745462
C 2.038075 0.033337 -0.226346
C -1.829827 -0.784763 -2.116075
C -4.526925 -0.324563 -0.154342
C 2.256113 1.484380 0.238150
C 3.342322 -0.787961 -0.261294
C -5.156817 0.385815 -1.230345
C 2.261376 2.557772 -0.682688
C 4.608893 -0.156399 -0.289904
C 2.495404 1.744536 1.612243
C 3.278239 -2.199435 -0.417279
C -6.560449 0.449367 -1.273441
C -6.635110 -0.894007 0.730712
C 2.495572 3.878960 -0.235558
C 5.787199 -0.915718 -0.470024
C 2.729706 3.063421 2.056139
C 4.453655 -2.956695 -0.602683
C -7.334350 -0.193595 -0.275412
C 2.729776 4.137282 1.134106
C 5.715168 -2.317160 -0.630443
H -2.694393 1.088919 -1.426370
H -0.225277 1.103307 -0.983413
H -1.271202 1.616204 0.387451
H -1.613994 0.059368 2.307422
H -0.796997 -1.540964 2.247266
H -2.261242 -2.299041 0.421590
H -3.328895 -1.616660 1.683587
H -1.199426 -0.285469 -2.873057
H -1.260299 -1.641870 -1.716178
H -2.739727 -1.170228 -2.609617
H -4.573375 0.863249 -2.021332
H 1.852591 -0.732022 -2.091499
H 2.085093 2.345631 -1.741077
H 4.678125 0.929157 -0.169554
H 2.505567 0.911892 2.325405
H 2.313087 -2.712602 -0.351277
H -7.049843 0.990268 -2.091298
H -7.176194 -1.427089 1.522182
H 2.498163 4.703503 -0.957624
H 6.759603 -0.410928 -0.485533
H 2.914402 3.253037 3.119446
H 4.387242 -4.045114 -0.709130
H -8.427265 -0.164702 -0.283498
H 2.911509 5.161053 1.480061
H 6.629383 -2.905400 -0.767608


