%chk=000238469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238469

0 1
O 2.662613 -0.499962 1.268367
N -2.384973 0.267748 -0.808170
C 0.717331 -1.178158 0.030487
C 0.934474 -2.654598 -0.402257
C -0.110058 -1.083271 1.327307
C 2.051295 -0.458338 0.221934
C 2.573490 0.327882 -0.963953
C -1.621542 -1.112049 1.062372
C 2.316569 1.846840 -0.816793
C 1.442944 -2.740726 -1.846361
C 1.873367 -3.407377 0.544709
C 0.823819 2.150253 -0.651872
C 3.130424 2.431121 0.341305
C -2.114500 0.205790 0.526164
C -2.283177 1.321804 1.374412
C -2.742460 2.520176 0.829182
C -2.832786 1.444169 -1.322082
C -3.024948 2.592145 -0.539815
H 0.145080 -0.666420 -0.787932
H -0.071416 -3.149140 -0.364104
H 0.166430 -1.913507 2.010020
H 0.161684 -0.162106 1.882735
H 3.665866 0.154165 -1.051351
H 2.129480 -0.030326 -1.910969
H 2.665305 2.326244 -1.767809
H -1.866949 -1.932549 0.351052
H -2.164101 -1.360418 1.997370
H 0.788379 -2.200068 -2.538767
H 1.479900 -3.783103 -2.184457
H 2.455059 -2.336778 -1.951733
H 1.528634 -3.342246 1.584569
H 1.943028 -4.466816 0.280528
H 2.890243 -2.995483 0.531852
H 0.635051 3.228875 -0.680265
H 0.431983 1.782639 0.304249
H 0.224476 1.691949 -1.446502
H 2.883207 3.481481 0.520184
H 4.206543 2.369156 0.147947
H 2.950997 1.882572 1.278050
H -2.056711 1.242733 2.434537
H -2.881296 3.395135 1.464346
H -3.040404 1.445660 -2.398376
H -3.386152 3.513499 -0.987111


%chk=000238469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238469

0 1
O 2.688875 -0.435896 1.389354
N -2.323817 0.074868 -0.778369
C 0.701733 -1.075009 0.125557
C 0.846064 -2.558363 -0.406003
C -0.099099 -1.028969 1.456459
C 2.073077 -0.403905 0.283566
C 2.676703 0.325653 -0.919341
C -1.639597 -1.149671 1.251194
C 2.612454 1.889467 -0.787140
C 1.136757 -2.629971 -1.924285
C 1.875179 -3.397605 0.388955
C 1.164500 2.398302 -0.582583
C 3.555696 2.420653 0.316316
C -2.244706 0.076066 0.593463
C -2.679965 1.188690 1.362352
C -3.212505 2.321464 0.710227
C -2.841152 1.178127 -1.395846
C -3.298813 2.319981 -0.701432
H 0.135058 -0.524930 -0.651177
H -0.155577 -3.010478 -0.249107
H 0.240859 -1.841328 2.125046
H 0.122911 -0.087207 1.994270
H 3.741888 0.034851 -1.005825
H 2.152197 0.029727 -1.845229
H 2.973258 2.280398 -1.761936
H -1.868294 -2.030685 0.624389
H -2.113026 -1.309834 2.238300
H 0.402116 -2.037252 -2.500622
H 1.080125 -3.677195 -2.275870
H 2.150230 -2.258404 -2.163945
H 1.714737 -3.330606 1.479584
H 1.804882 -4.461979 0.096964
H 2.908782 -3.059495 0.190270
H 1.135507 3.503092 -0.617274
H 0.765227 2.086702 0.401433
H 0.479840 2.015401 -1.362500
H 3.506537 3.524818 0.366138
H 4.604273 2.130630 0.118963
H 3.281717 2.011881 1.304305
H -2.602887 1.156068 2.454589
H -3.556688 3.185423 1.289184
H -2.889608 1.130882 -2.490399
H -3.709249 3.174234 -1.248997


