%chk=000183601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183601

0 1
O -2.348532 0.310197 0.027440
O -2.928138 -1.761235 0.899964
O 8.140970 -0.096101 0.860154
O 8.082136 0.282025 -1.268015
N -4.490545 -0.052759 0.547308
N 7.544060 0.095543 -0.187730
C -5.720243 -0.889017 0.718628
C -6.793598 -0.038725 1.424532
C -6.216599 -1.434217 -0.635380
C -7.408805 1.031842 0.515166
C -6.819404 -0.344880 -1.528954
C -7.923920 0.429322 -0.798162
C -3.247883 -0.656192 0.530138
C -0.966874 0.145444 0.057671
C 1.805158 0.128673 -0.024278
C -0.287244 -0.958186 0.578465
C -0.296981 1.246708 -0.507364
C 3.281262 0.119033 -0.066562
C 1.108003 -0.954169 0.535031
C 1.093406 1.225613 -0.545899
C 4.019205 -0.092403 1.112832
C 3.953449 0.321489 -1.286233
C 5.411388 -0.100318 1.078581
C 5.345268 0.313145 -1.331101
C 6.068837 0.102972 -0.145787
H -5.440835 -1.757103 1.379471
H -6.366214 0.434818 2.330759
H -7.589727 -0.719834 1.787549
H -6.975727 -2.218325 -0.440747
H -5.389944 -1.946905 -1.164716
H -6.666336 1.824135 0.301671
H -8.238134 1.536949 1.047633
H -7.227701 -0.803631 -2.450297
H -6.028215 0.351160 -1.866853
H -8.778898 -0.243528 -0.591713
H -8.319029 1.230214 -1.451183
H -4.607050 0.865760 0.117835
H -0.830608 -1.807518 1.005857
H -0.867519 2.086329 -0.898996
H 1.657645 -1.808879 0.933548
H 1.634940 2.069712 -0.975527
H 3.497736 -0.241417 2.059458
H 3.380890 0.474895 -2.201919
H 5.997884 -0.260943 1.990084
H 5.880965 0.466206 -2.274558


%chk=000183601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183601

0 1
O -2.382804 0.441493 0.108880
O -3.046656 -1.699282 0.961308
O 8.273166 -0.692468 0.645311
O 8.243199 0.696580 -1.165648
N -4.567800 0.022291 0.489374
N 7.649900 0.018437 -0.237449
C -5.791174 -0.722434 0.874311
C -6.878242 0.274062 1.346323
C -6.313840 -1.605982 -0.292002
C -7.464666 1.112771 0.182401
C -6.887403 -0.763021 -1.454779
C -7.988067 0.205406 -0.957079
C -3.325617 -0.542537 0.564974
C -0.979871 0.251339 0.098605
C 1.862759 0.176480 -0.021206
C -0.294865 -0.908342 0.536886
C -0.262170 1.364735 -0.399909
C 3.347093 0.135854 -0.077069
C 1.112823 -0.925558 0.473321
C 1.140490 1.322939 -0.460553
C 4.097080 -0.620738 0.871035
C 4.064678 0.852360 -1.079728
C 5.500448 -0.666612 0.826223
C 5.467935 0.821151 -1.139697
C 6.173817 0.058445 -0.182413
H -5.499097 -1.381872 1.712410
H -6.469132 0.929127 2.139182
H -7.695456 -0.316669 1.804511
H -7.108536 -2.265577 0.112203
H -5.497663 -2.264277 -0.642360
H -6.696297 1.805161 -0.224681
H -8.278129 1.757200 0.566316
H -7.291455 -1.431857 -2.238125
H -6.070327 -0.180965 -1.928414
H -8.849605 -0.385121 -0.582134
H -8.363906 0.823436 -1.794826
H -4.638411 0.976917 0.135250
H -0.851950 -1.769888 0.905605
H -0.817036 2.250813 -0.721660
H 1.631848 -1.838311 0.786019
H 1.680208 2.206356 -0.818116
H 3.573972 -1.151687 1.672597
H 3.513433 1.412602 -1.841617
H 6.081749 -1.237110 1.555192
H 6.024077 1.360253 -1.910969


