%chk=000233951.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233951

0 1
O -2.216740 -1.406587 2.398295
O -2.135861 -1.395500 -2.350029
O -3.943753 -2.548647 -1.710181
N 0.642093 1.219767 1.147467
N -1.626258 -0.837098 0.274493
C 0.135168 -1.053438 2.048597
C 0.549133 0.388769 2.385838
C 1.112663 -1.683301 1.050223
C 1.601447 -0.737445 -0.011095
C 1.435151 0.669147 0.093786
C -1.332255 -1.104548 1.610163
C 0.799857 2.672719 1.451599
C 2.254527 -1.270795 -1.128204
C 1.938106 1.495742 -0.934086
C 2.145166 3.058328 2.064761
C -3.024795 -0.824427 -0.193541
C 2.747515 -0.443516 -2.139756
C 2.584331 0.940185 -2.037065
C -3.513879 0.582184 -0.530999
C -3.127992 -1.700852 -1.447942
H 0.172691 -1.651134 3.002579
H -0.209310 0.852971 3.057748
H 1.511802 0.367889 2.944791
H 0.644632 -2.575573 0.580491
H 1.993871 -2.073522 1.606746
H 0.632320 3.238578 0.505153
H -0.032651 2.962476 2.132538
H 2.381643 -2.350337 -1.212174
H 1.817041 2.576006 -0.877874
H -0.925956 -0.449204 -0.363150
H 2.985944 2.717235 1.446154
H 2.235375 4.146222 2.164958
H 2.283446 2.628340 3.062761
H -3.685088 -1.286255 0.605791
H 3.252890 -0.874523 -2.999830
H 2.964424 1.592342 -2.822694
H -4.560076 0.577005 -0.862469
H -3.454679 1.234841 0.351687
H -2.913349 1.051348 -1.322362
H -2.175893 -1.956894 -3.169867


%chk=000233951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233951

0 1
O -2.267088 -0.582780 2.375307
O -1.898954 -2.137206 -2.154413
O -4.198280 -1.812374 -2.226254
N 0.907772 1.188088 1.360905
N -1.570573 -1.045605 0.212607
C 0.109402 -1.070670 2.063039
C 0.675565 0.299231 2.515546
C 1.114863 -1.715214 1.083166
C 1.546246 -0.753889 -0.021688
C 1.454906 0.669324 0.174169
C -1.334393 -0.879937 1.559265
C 0.813867 2.638674 1.601253
C 2.042779 -1.256726 -1.243724
C 1.900311 1.523150 -0.882507
C 2.124627 3.283544 2.116708
C -2.924157 -0.885368 -0.332119
C 2.472638 -0.405926 -2.286661
C 2.395532 0.991228 -2.089580
C -3.306865 0.606972 -0.554232
C -3.110578 -1.653236 -1.635752
H 0.014418 -1.699964 2.967539
H -0.050539 0.784011 3.191547
H 1.612708 0.123324 3.089077
H 0.702322 -2.644817 0.646956
H 2.003254 -2.024475 1.670345
H 0.483972 3.140333 0.672424
H 0.009043 2.801462 2.342304
H 2.092904 -2.345626 -1.375920
H 1.869566 2.609778 -0.763282
H -0.799097 -1.205553 -0.441810
H 2.950151 3.137816 1.397997
H 1.986954 4.369961 2.270824
H 2.429420 2.838782 3.081048
H -3.635032 -1.299944 0.407922
H 2.858982 -0.820909 -3.222986
H 2.728468 1.677448 -2.877112
H -4.335991 0.682685 -0.944116
H -3.248063 1.126970 0.415490
H -2.613152 1.087445 -1.266142
H -2.065207 -2.591512 -3.023839


