%chk=000202982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202982

0 1
O 2.871988 -3.188268 0.435482
O -0.322770 -2.064929 -0.294042
O -1.323105 2.354420 -0.703052
N -0.793038 0.138430 -0.528462
N -4.484063 0.215424 -0.117047
C 1.569381 -0.609077 0.127246
C 1.853907 -1.248658 1.509068
C 2.456559 -1.242494 -0.973886
C 1.913112 -2.788348 1.446766
C 2.476909 -2.782348 -0.899132
C 1.887048 0.876573 0.203338
C 0.101706 -0.926742 -0.234422
C 0.925952 1.858104 -0.073623
C 2.456682 -3.402435 2.728732
C 3.540566 -3.395293 -1.798237
C -0.468227 1.525117 -0.455291
C 3.185865 1.286773 0.555320
C -2.203897 -0.214550 -0.901635
C 1.256919 3.224567 0.000424
C -3.121620 -0.205507 0.339709
C 3.511692 2.640712 0.628798
C 2.545904 3.616696 0.351030
C -4.582291 1.713638 -0.183439
C -5.564359 -0.369785 0.743342
C -5.712173 2.116019 -1.131683
C -5.711247 -1.865592 0.459702
H 1.095959 -0.926815 2.245977
H 2.826782 -0.877674 1.891572
H 3.496460 -0.872793 -0.863902
H 2.123220 -0.913373 -1.975029
H 0.918508 -3.213732 1.170418
H 1.464058 -3.204107 -1.105228
H 3.487275 -3.079098 2.923623
H 1.842173 -3.147279 3.596758
H 2.489638 -4.497636 2.643195
H 3.385333 -3.136724 -2.849696
H 4.548352 -3.073964 -1.505346
H 3.529829 -4.490765 -1.710562
H 3.949412 0.537100 0.773749
H -2.559395 0.517073 -1.666651
H -2.212657 -1.218782 -1.381541
H 0.484874 3.969233 -0.222891
H -3.163302 -1.230092 0.770180
H -2.707504 0.448433 1.136147
H 4.523916 2.941237 0.903408
H 2.802227 4.673714 0.408250
H -4.731681 2.179320 0.813514
H -3.614224 2.116134 -0.574190
H -5.392480 -0.199261 1.827740
H -6.519305 0.143709 0.487986
H -5.617734 1.593750 -2.093550
H -6.698768 1.865226 -0.727823
H -5.690030 3.192320 -1.330254
H -5.819756 -2.048074 -0.618459
H -4.835266 -2.435517 0.790248
H -6.591520 -2.277411 0.962249


%chk=000202982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202982

0 1
O 2.711512 -3.291692 0.389177
O -0.571785 -1.785179 -0.001459
O -0.975798 2.764521 -0.786336
N -0.705600 0.468997 -0.485022
N -4.488255 0.272532 -0.099856
C 1.529268 -0.548838 0.240676
C 1.825025 -1.307693 1.588878
C 2.309228 -1.257690 -0.941420
C 1.826931 -2.851953 1.492926
C 2.226033 -2.798127 -0.918537
C 2.021969 0.902499 0.325265
C 0.023622 -0.669283 -0.070178
C 1.186694 1.998263 -0.014540
C 2.383192 -3.497858 2.764375
C 3.125356 -3.437049 -1.979543
C -0.219524 1.804787 -0.453552
C 3.361901 1.181690 0.701423
C -2.131000 0.270002 -0.877970
C 1.671920 3.332277 0.042178
C -3.078588 0.303560 0.346738
C 3.845595 2.503920 0.756699
C 2.996812 3.590356 0.429644
C -5.034301 1.630493 -0.370244
C -5.368186 -0.575638 0.744627
C -6.174713 1.628584 -1.406078
C -5.132141 -2.081922 0.522873
H 1.090406 -0.987492 2.352627
H 2.822532 -0.999090 1.949690
H 3.375491 -0.976838 -0.854880
H 1.943583 -0.865303 -1.910269
H 0.800240 -3.212368 1.289119
H 1.174295 -3.123454 -1.055015
H 3.429209 -3.183718 2.933568
H 1.780313 -3.211834 3.645517
H 2.365544 -4.597023 2.670068
H 2.826576 -3.116108 -2.994075
H 4.180579 -3.153565 -1.814563
H 3.052452 -4.536516 -1.923662
H 4.041840 0.359274 0.948655
H -2.390694 1.079276 -1.577462
H -2.219919 -0.705552 -1.378372
H 0.982897 4.138528 -0.228821
H -2.867943 -0.579537 0.974053
H -2.854193 1.209856 0.957343
H 4.884300 2.689129 1.051916
H 3.371352 4.618209 0.473390
H -5.381984 2.121772 0.574078
H -4.206072 2.254427 -0.755113
H -5.254759 -0.329682 1.831281
H -6.415035 -0.340544 0.479480
H -5.823406 1.190872 -2.356741
H -7.045743 1.041083 -1.062744
H -6.522433 2.661063 -1.597389
H -5.325388 -2.343568 -0.532120
H -4.092680 -2.375187 0.757524
H -5.804731 -2.679068 1.167070


