%chk=000227780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227780

0 1
O 0.202404 -2.095359 2.043004
O -2.565011 1.622968 -2.990464
O -1.020004 0.135160 -2.788021
N 1.756273 -0.349155 0.168843
N -1.648798 1.101356 -2.373822
C 0.680428 0.107443 -0.767553
C 0.648888 -1.290680 -0.152641
C 3.114080 -0.638805 -0.386493
C 3.880275 0.698135 -0.472329
C 3.808108 -1.615035 0.586113
C -0.211440 1.201590 -0.288011
C 5.332290 0.451239 -0.900491
C 5.260411 -1.852983 0.157177
C -0.252777 -1.676229 1.004319
C 6.034665 -0.531766 0.046921
C -1.294682 1.671813 -1.061555
C 0.027646 1.808374 0.958281
C -1.723168 -1.568561 0.765882
C -2.108725 2.724345 -0.591909
C -0.778535 2.846516 1.419070
C -2.272515 -1.595151 -0.523332
C -2.567899 -1.465374 1.883176
C -1.850339 3.309512 0.641691
C -3.656790 -1.509924 -0.693219
C -3.950709 -1.374404 1.709480
C -4.495308 -1.397290 0.421030
H 0.893848 0.170069 -1.855400
H 0.818541 -2.154826 -0.819659
H 3.074150 -1.102592 -1.405807
H 3.855251 1.205749 0.512773
H 3.380832 1.383265 -1.180714
H 3.253825 -2.570702 0.633220
H 3.772586 -1.204605 1.616127
H 5.882345 1.410924 -0.922403
H 5.360441 0.060144 -1.935671
H 5.287168 -2.386704 -0.812045
H 5.757915 -2.520790 0.886017
H 7.064267 -0.725905 -0.306267
H 6.134929 -0.074828 1.050624
H 0.863431 1.446223 1.571474
H -2.944850 3.071375 -1.211219
H -0.576357 3.301299 2.391023
H -1.626668 -1.677247 -1.402188
H -2.132354 -1.463172 2.885797
H -2.479026 4.122305 1.004779
H -4.082057 -1.531934 -1.696545
H -4.603538 -1.291231 2.576853
H -5.574445 -1.329350 0.284584


%chk=000227780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227780

0 1
O -0.311764 -0.555904 2.393387
O -2.020349 2.604294 -3.294254
O -1.176950 0.579360 -2.697021
N 1.668842 -0.013365 0.327719
N -1.428915 1.828158 -2.448519
C 0.654836 0.501018 -0.645023
C 0.450251 -0.847042 0.104614
C 2.937533 -0.537029 -0.270144
C 3.901186 0.640855 -0.529566
C 3.565157 -1.568601 0.690906
C -0.102046 1.739366 -0.278713
C 5.258305 0.138045 -1.077119
C 4.922806 -2.076536 0.148948
C -0.547788 -1.000304 1.231645
C 5.894869 -0.902984 -0.125188
C -1.045978 2.387841 -1.130566
C 0.141955 2.342587 0.983449
C -1.835933 -1.697845 0.905808
C -1.690569 3.593133 -0.760460
C -0.508761 3.530669 1.370333
C -2.285768 -1.864560 -0.432961
C -2.639805 -2.171989 1.978077
C -1.423899 4.165112 0.495327
C -3.518135 -2.503579 -0.689086
C -3.863555 -2.818423 1.718115
C -4.304931 -2.987181 0.382183
H 0.868255 0.363460 -1.712863
H 0.549029 -1.727762 -0.550333
H 2.728423 -1.043840 -1.249527
H 4.056801 1.177775 0.427133
H 3.441190 1.360347 -1.235215
H 2.867700 -2.414448 0.847835
H 3.708186 -1.081849 1.675374
H 5.942950 0.994913 -1.224483
H 5.106276 -0.324741 -2.074560
H 4.758891 -2.641199 -0.792676
H 5.370539 -2.786008 0.870795
H 6.842243 -1.283879 -0.552957
H 6.149720 -0.410038 0.835471
H 0.858362 1.840501 1.640266
H -2.393269 4.049165 -1.462453
H -0.302171 3.962387 2.355239
H -1.701497 -1.464487 -1.268270
H -2.282400 -2.017486 3.001780
H -1.928945 5.089765 0.791842
H -3.867616 -2.616918 -1.720979
H -4.475290 -3.188765 2.548032
H -5.258971 -3.486788 0.179157


