%chk=000294537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294537

0 1
O 2.916740 2.606734 -1.048918
O -3.510947 2.195746 -1.142225
N 2.963784 0.752166 0.278799
N -2.911412 0.507621 0.267018
C 1.313382 -0.917198 -0.464733
C -1.127253 -1.014238 -0.470019
C 1.363426 -2.172281 0.173873
C -1.079899 -2.268506 0.171232
C 0.069305 -0.353296 -0.773527
C 0.165475 -2.831310 0.483557
C 2.564247 -0.155831 -0.826250
C -2.433725 -0.360114 -0.840824
C 2.664567 -2.824938 0.515972
C -2.326447 -3.019688 0.513189
C 3.040574 2.134962 0.068204
C -3.380069 1.799289 0.003314
C 3.336785 2.949648 1.297541
C -3.737717 2.607748 1.220484
H 0.032144 0.624779 -1.262829
H 0.203054 -3.803560 0.972383
H 3.413195 -0.841519 -1.048832
H 2.410127 0.447415 -1.758907
H -2.328573 0.255702 -1.771631
H -3.220439 -1.114526 -1.072334
H 3.346318 -2.142477 1.040228
H 2.538793 -3.706024 1.159548
H 3.181129 -3.168296 -0.393661
H -3.073607 -2.382628 1.005531
H -2.796293 -3.430607 -0.393856
H -2.138240 -3.867927 1.184723
H 2.932564 0.359543 1.211733
H -2.700446 0.195444 1.206531
H 3.448316 4.011401 1.019829
H 2.530489 2.894964 2.038665
H 4.272045 2.646973 1.785160
H -4.492185 2.114791 1.845795
H -4.161270 3.577386 0.908623
H -2.863437 2.826850 1.845413


%chk=000294537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294537

0 1
O 3.029012 2.487745 -1.029006
O -3.597314 1.749398 -1.251794
N 2.468699 1.022778 0.691768
N -2.506726 0.845592 0.595755
C 1.297577 -1.065804 -0.041555
C -1.172954 -1.218920 0.072284
C 1.393415 -2.486998 -0.051306
C -1.088987 -2.642715 0.063766
C 0.018496 -0.462587 0.017737
C 0.192803 -3.237994 0.001723
C 2.543453 -0.188903 -0.141659
C -2.538229 -0.534226 0.094683
C 2.729226 -3.210957 -0.132134
C -2.332167 -3.516904 0.100725
C 2.727654 2.290016 0.187476
C -3.048869 1.906712 -0.119073
C 2.626380 3.431816 1.196542
C -2.934210 3.275357 0.546919
H -0.048548 0.631148 -0.001671
H 0.259984 -4.333491 -0.008749
H 3.446971 -0.768912 0.124296
H 2.691687 0.178416 -1.176506
H -2.962864 -0.465346 -0.926932
H -3.252380 -1.134004 0.693174
H 3.387183 -2.966500 0.724283
H 2.580641 -4.304082 -0.132581
H 3.286069 -2.950962 -1.051984
H -2.910239 -3.375385 1.034983
H -3.017796 -3.291921 -0.737894
H -2.063568 -4.584765 0.035263
H 2.235727 0.913318 1.679823
H -2.093223 1.018787 1.512928
H 3.609553 3.926753 1.280162
H 1.915491 4.184925 0.815680
H 2.304817 3.108446 2.202243
H -2.446066 3.248468 1.537129
H -3.943409 3.707628 0.657863
H -2.362788 3.948271 -0.115561


