%chk=000298048.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298048

0 1
O -1.882437 -0.930503 -0.086714
O -1.186916 0.456903 -1.786814
N 0.273532 -0.403767 -0.150639
C -3.320921 -0.925630 -0.500008
C -3.852383 0.513545 -0.408113
C -3.915166 -1.858008 0.571751
C -3.694344 1.147239 0.977908
C -3.412847 -1.461467 -1.920845
C -3.998314 2.651764 0.941758
C -3.536098 -3.325028 0.404829
C -3.868304 3.284898 2.325049
C -0.958027 -0.207491 -0.798436
C 1.518488 0.164749 -0.558393
C 2.689002 -0.153288 0.234079
C 3.932669 0.406274 -0.161271
C 1.616671 0.988110 -1.663733
C 2.652502 -0.997896 1.387559
C 4.004488 1.255096 -1.309823
C 2.873134 1.532922 -2.034893
C 5.107815 0.109537 0.603224
C 3.792620 -1.266850 2.103162
C 5.039336 -0.704526 1.704879
H -4.914420 0.531101 -0.717972
H -3.317437 1.137866 -1.161339
H -3.573991 -1.509348 1.570481
H -5.017260 -1.745422 0.566772
H -4.361208 0.649596 1.707131
H -2.661397 0.981347 1.345982
H -2.833456 -2.385223 -2.042789
H -4.447427 -1.677666 -2.205232
H -3.006122 -0.742307 -2.650780
H -3.310599 3.156880 0.234072
H -5.018042 2.822696 0.545570
H -3.999147 -3.772300 -0.481738
H -3.853597 -3.914030 1.272977
H -2.448316 -3.440799 0.306613
H -4.563036 2.836350 3.043705
H -4.081490 4.359314 2.289130
H -2.855997 3.166692 2.728831
H 0.274173 -1.006636 0.681271
H 0.736156 1.233448 -2.267781
H 1.701759 -1.432588 1.699434
H 4.968021 1.672193 -1.593529
H 2.915731 2.179001 -2.912641
H 6.054918 0.545734 0.288245
H 3.763072 -1.909906 2.980843
H 5.929314 -0.933381 2.289529


%chk=000298048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298048

0 1
O -1.843708 -0.940945 -0.142266
O -1.165914 0.550143 -1.860247
N 0.321797 -0.376704 -0.261798
C -3.322812 -0.928703 -0.510835
C -3.884965 0.512295 -0.367201
C -3.928188 -1.891058 0.542553
C -3.697419 1.177064 1.014884
C -3.493971 -1.446307 -1.953196
C -4.133528 2.660657 1.011912
C -3.493122 -3.366361 0.423158
C -3.956529 3.338315 2.387492
C -0.917867 -0.175566 -0.863846
C 1.578820 0.166794 -0.631985
C 2.724103 -0.152211 0.202180
C 4.019745 0.380176 -0.174916
C 1.733079 0.982749 -1.764895
C 2.645788 -0.964395 1.383796
C 4.142388 1.205712 -1.339839
C 3.016582 1.497703 -2.109460
C 5.164692 0.071816 0.632891
C 3.779316 -1.245842 2.151537
C 5.054881 -0.724931 1.772903
H -4.966722 0.461648 -0.608956
H -3.413434 1.144018 -1.141846
H -3.655271 -1.515033 1.545503
H -5.030965 -1.815276 0.461457
H -4.277127 0.636607 1.789749
H -2.632363 1.111639 1.315392
H -2.948670 -2.393319 -2.102786
H -4.565957 -1.631970 -2.151296
H -3.120556 -0.708582 -2.680704
H -3.546204 3.209693 0.248441
H -5.195358 2.730759 0.697357
H -3.861722 -3.834383 -0.506827
H -3.891930 -3.953019 1.270933
H -2.392201 -3.451055 0.437806
H -4.556441 2.825868 3.163516
H -4.272765 4.397318 2.360658
H -2.898140 3.309737 2.708671
H 0.288259 -1.005606 0.540610
H 0.860036 1.217385 -2.376259
H 1.689964 -1.381655 1.723534
H 5.127846 1.600951 -1.610772
H 3.105947 2.130451 -2.999153
H 6.137460 0.480320 0.333944
H 3.689830 -1.866752 3.049468
H 5.938019 -0.950952 2.380041


