%chk=000218026.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218026

0 1
O -4.947160 -3.861168 0.949395
O 0.119343 5.496624 0.217454
N -1.293596 -0.678643 -0.536570
N -3.881450 -2.006664 0.205620
C -0.186123 -0.167086 0.360140
C -2.576254 0.058793 -0.266096
C -1.484906 -2.157698 -0.411825
C -3.827497 -0.768744 -0.613557
C -2.562209 -2.571210 0.604144
C 1.154348 -0.786734 -0.102937
C -0.117658 1.346707 0.269582
C 2.310154 -0.392383 0.826092
C -5.031970 -2.785077 0.373513
C 0.017984 1.985545 -0.969693
C -0.169699 2.118148 1.445025
C 3.594407 -1.031897 0.371963
C 0.101739 3.378439 -1.055832
C -0.086343 3.504421 1.388472
C -6.333509 -2.228904 -0.131404
C 0.050234 4.123256 0.128328
C 3.991184 -2.272733 0.893801
C 4.400842 -0.393778 -0.583450
C 5.182725 -2.864673 0.466267
C 5.590939 -0.990103 -1.007542
C 5.985181 -2.225805 -0.484138
C 0.276433 6.247410 -1.010222
H -0.367856 -0.467121 1.427199
H -2.552546 0.969184 -0.908799
H -2.650049 0.410396 0.787354
H -0.521764 -2.659864 -0.166687
H -1.761611 -2.516266 -1.431222
H -3.825116 -1.029428 -1.697134
H -4.734142 -0.153879 -0.420058
H -2.313923 -2.205097 1.624742
H -2.640223 -3.682971 0.675902
H 1.375429 -0.475370 -1.143161
H 1.066400 -1.893359 -0.141336
H 2.079744 -0.681634 1.870905
H 2.415715 0.713598 0.848879
H 0.049963 1.384766 -1.881852
H -0.274326 1.629202 2.413911
H 0.205739 3.855076 -2.023983
H -0.122422 4.117907 2.285461
H -6.594487 -1.277133 0.348425
H -6.331584 -2.080122 -1.217924
H -7.147650 -2.937581 0.097216
H 3.371835 -2.776154 1.632647
H 4.098177 0.567091 -0.994796
H 5.486610 -3.826713 0.875417
H 6.213392 -0.490436 -1.747856
H 6.912366 -2.687747 -0.814877
H 0.307292 7.280175 -0.638588
H 1.216070 5.980373 -1.502072
H -0.586169 6.092064 -1.664140


%chk=000218026-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218026

0 1
O -4.548546 -3.908548 -1.081115
O 0.117552 5.520694 -0.189692
N -1.421294 -0.750245 0.564703
N -3.842990 -1.982131 0.022410
C -0.141137 -0.124399 1.017173
C -2.642970 -0.097264 1.087356
C -1.470076 -2.234886 0.748401
C -3.851299 -0.514176 0.222577
C -2.926596 -2.741952 0.890780
C 1.075337 -0.839372 0.357973
C -0.120857 1.369539 0.686274
C 2.440784 -0.305309 0.869244
C -4.601687 -2.644733 -0.936432
C -0.377472 1.815940 -0.632378
C 0.203187 2.338334 1.669960
C 3.610949 -1.018848 0.207807
C -0.313930 3.185237 -0.972838
C 0.276101 3.708275 1.351636
C -5.498124 -1.773318 -1.815774
C 0.019262 4.136485 0.025689
C 4.163823 -2.198272 0.770891
C 4.151764 -0.538646 -1.013360
C 5.224459 -2.880884 0.132993
C 5.212245 -1.216537 -1.655584
C 5.752580 -2.392357 -1.084598
C -0.129023 6.014000 -1.546468
H -0.025231 -0.235450 2.130416
H -2.526454 0.996490 1.015820
H -2.832089 -0.330518 2.165092
H -0.914236 -2.552447 1.665373
H -0.990411 -2.721567 -0.119578
H -3.774918 -0.007685 -0.757027
H -4.791844 -0.181310 0.711918
H -3.262329 -2.660246 1.943299
H -2.999981 -3.801038 0.593973
H 1.011044 -0.713685 -0.739923
H 1.034175 -1.925364 0.559604
H 2.486222 -0.440387 1.968730
H 2.499942 0.781578 0.675569
H -0.648674 1.076621 -1.394874
H 0.402126 2.016402 2.699736
H -0.520848 3.495627 -2.001724
H 0.526904 4.459606 2.106556
H -6.144172 -1.101096 -1.222550
H -4.894471 -1.144742 -2.497482
H -6.128522 -2.441616 -2.420019
H 3.764251 -2.580343 1.719232
H 3.741163 0.376627 -1.458600
H 5.640887 -3.788249 0.585631
H 5.619638 -0.827519 -2.595955
H 6.576758 -2.918510 -1.579380
H 0.006788 7.103676 -1.484704
H 0.594999 5.588302 -2.268470
H -1.160755 5.785215 -1.878192


