%chk=000244328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244328

0 1
O 0.265776 -2.223795 -0.457411
O 3.904264 0.287333 0.727829
N 0.046427 0.080539 -0.552979
N 2.104534 -0.962814 0.141108
C -2.315101 0.247234 0.244871
C -1.389868 -0.031627 -0.946966
C -3.787429 0.149052 -0.176997
C -4.722801 0.428395 0.996043
C 0.774417 -1.132447 -0.293058
C 0.628113 1.336909 -0.356614
C 1.912338 1.463248 0.059576
C 2.755481 0.313183 0.346916
H -2.110611 1.245254 0.676932
H -2.108828 -0.477245 1.060009
H -1.588204 0.668427 -1.787332
H -1.564345 -1.066589 -1.338024
H -3.996231 -0.860433 -0.586145
H -3.997703 0.860892 -0.999416
H -4.575033 1.433943 1.406194
H -5.773278 0.351390 0.690695
H -4.570346 -0.284969 1.815129
H -0.007962 2.207525 -0.567111
H 2.646846 -1.819950 0.324515
H 2.383142 2.436747 0.199837


%chk=000244328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244328

0 1
O 0.137893 -2.215410 -0.249258
O 4.003415 0.250884 0.699877
N 0.060807 0.122055 -0.536462
N 2.048233 -0.932653 0.200945
C -2.331190 0.226638 0.262964
C -1.370273 0.050477 -0.932446
C -3.810520 0.157507 -0.179205
C -4.787763 0.337611 1.001860
C 0.712442 -1.093882 -0.195558
C 0.716831 1.345674 -0.442873
C 2.025662 1.468484 -0.042818
C 2.799795 0.281639 0.316263
H -2.137096 1.197859 0.761949
H -2.127672 -0.567343 1.006652
H -1.550903 0.827703 -1.698567
H -1.528425 -0.938733 -1.394466
H -3.999562 -0.817820 -0.670913
H -4.005974 0.937817 -0.943521
H -4.640874 1.316809 1.495129
H -5.838766 0.283661 0.664998
H -4.636753 -0.448676 1.764603
H 0.116167 2.217287 -0.719319
H 2.541662 -1.797561 0.444975
H 2.516464 2.440176 0.012791


