%chk=000227535.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227535

0 1
O 6.108260 0.471084 0.156805
N 1.685962 0.352678 -1.740999
N -2.799764 0.770060 -0.348545
N 0.690880 -1.445564 -0.536740
N -2.418982 1.943690 -0.981598
N -1.640974 -1.394382 0.205122
C 3.917938 0.264121 -0.638436
C 3.018910 -0.297274 -1.746970
C -0.619501 0.542778 -0.967205
C 5.292284 -0.408162 -0.648984
C 0.605814 -0.179013 -1.066926
C -1.717485 -0.127639 -0.316801
C 7.256428 -0.154174 0.791843
C -1.132450 1.827567 -1.354909
C -4.142964 0.615680 0.153400
C -0.424040 -1.995793 0.062118
C 8.302432 -0.523426 -0.257452
C 7.732739 0.931226 1.751209
C -4.486222 -0.517672 0.908896
C -5.099817 1.612529 -0.121921
C -0.269647 -3.376701 0.605262
C -5.793621 -0.646576 1.384201
C -6.398178 1.462720 0.364750
C -6.750365 0.336375 1.116896
H 4.056032 1.360357 -0.742816
H 3.442497 0.126187 0.354746
H 3.469840 -0.126667 -2.751029
H 2.898434 -1.402392 -1.626631
H 5.264432 -1.421940 -0.215774
H 5.740879 -0.443875 -1.657188
H 1.664833 1.339470 -1.983243
H 6.903412 -1.056073 1.339846
H -0.604906 2.614309 -1.870729
H 9.265701 -0.766388 0.203198
H 7.995779 -1.384824 -0.857892
H 8.470368 0.312885 -0.948696
H 8.583076 0.595472 2.351338
H 6.924157 1.229679 2.431456
H 8.032458 1.836682 1.207568
H -3.751630 -1.299080 1.127763
H -4.830014 2.493993 -0.707538
H -1.186726 -3.728540 1.104177
H -0.027183 -4.089333 -0.199526
H 0.555401 -3.424615 1.333865
H -6.063879 -1.525360 1.969497
H -7.141885 2.231058 0.154927
H -7.765714 0.227061 1.491868


%chk=000227535-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227535

0 1
O 6.270016 0.517364 0.281026
N 1.671607 0.350254 -1.454053
N -2.912848 0.726294 -0.395395
N 0.593125 -1.425439 -0.330058
N -2.543954 1.920037 -1.051143
N -1.777216 -1.382087 0.281658
C 4.000972 0.403483 -0.526317
C 2.984338 -0.315430 -1.443247
C -0.713091 0.532178 -0.896664
C 5.360358 -0.307463 -0.518536
C 0.532912 -0.181127 -0.895664
C -1.820543 -0.136841 -0.286957
C 7.538141 -0.152869 0.655582
C -1.227949 1.791011 -1.345248
C -4.269424 0.570360 0.046173
C -0.544121 -1.966494 0.224095
C 8.448724 -0.386689 -0.567054
C 8.181943 0.761713 1.704174
C -4.678297 -0.614996 0.708121
C -5.191834 1.620590 -0.189226
C -0.398013 -3.341896 0.826728
C -6.019024 -0.737274 1.131501
C -6.526372 1.478444 0.241927
C -6.949644 0.301875 0.903964
H 4.159237 1.446487 -0.864718
H 3.605879 0.450105 0.504238
H 3.376397 -0.362760 -2.479445
H 2.806343 -1.346588 -1.095290
H 5.268292 -1.324421 -0.072442
H 5.743284 -0.422828 -1.557303
H 1.615414 1.294251 -1.837636
H 7.286254 -1.135551 1.118690
H -0.729920 2.610584 -1.862030
H 9.405400 -0.841441 -0.249695
H 7.984213 -1.065612 -1.304833
H 8.668227 0.574428 -1.066172
H 9.120393 0.319797 2.084796
H 7.492815 0.916920 2.551600
H 8.410812 1.746968 1.260230
H -3.951163 -1.412111 0.880122
H -4.851417 2.523166 -0.701041
H -1.359775 -3.679322 1.240300
H -0.051866 -4.060301 0.062154
H 0.364378 -3.330539 1.626167
H -6.334226 -1.653541 1.643171
H -7.237666 2.291624 0.059296
H -7.988115 0.197886 1.236657


