%chk=000211803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211803

0 1
O 4.148287 0.321823 1.092798
O 5.873720 -1.390995 0.102234
N 0.022677 0.102376 0.106872
N 4.734132 -1.030095 -0.646896
C -2.878531 -0.227937 0.493414
C -2.283575 0.867625 -0.411960
C -1.896793 -1.416144 0.542599
C -0.889072 1.292448 0.074738
C -0.507898 -0.963265 1.019674
C -4.257741 -0.692723 -0.011357
C 1.417667 0.491127 0.485560
C -5.346105 0.367469 0.205834
C 2.380659 -0.193261 -0.518563
C 2.448136 0.571578 -1.839720
C -6.711405 -0.118038 -0.276335
C 3.770251 -0.279151 0.105589
H -2.993706 0.181977 1.526102
H -2.950056 1.748377 -0.442495
H -2.213006 0.494404 -1.452812
H -1.810489 -1.871699 -0.463633
H -2.277526 -2.207359 1.212773
H -0.458182 2.029166 -0.638132
H -0.969431 1.799041 1.060684
H -0.561300 -0.632746 2.079938
H 0.195048 -1.823274 0.983124
H -4.547096 -1.626449 0.509031
H -4.200359 -0.958866 -1.083913
H 1.688568 0.202454 1.525590
H 1.567286 1.591209 0.445471
H 2.000350 -1.228579 -0.719675
H -5.074296 1.301498 -0.324429
H -5.402605 0.634661 1.279332
H 2.857142 1.580904 -1.711098
H 3.064966 0.057871 -2.585436
H 1.436356 0.677320 -2.260484
H -6.700173 -0.358320 -1.345560
H -7.031737 -1.019719 0.257867
H -7.481161 0.646008 -0.120188
H 4.462777 -1.892616 -1.118849
H 6.212922 -0.517700 0.507214


%chk=000211803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211803

0 1
O 4.429009 1.097860 -0.041538
O 5.962263 -0.917608 0.731420
N 0.052515 0.198221 0.010308
N 4.611329 -1.146116 0.287930
C -2.851307 -0.270661 0.426435
C -2.288816 1.054087 -0.146853
C -1.851043 -1.412191 0.116851
C -0.854546 1.324492 0.350396
C -0.428956 -1.072784 0.604826
C -4.266053 -0.606345 -0.108076
C 1.468147 0.481788 0.330081
C -5.371014 0.393415 0.306540
C 2.450939 -0.317840 -0.580117
C 2.295020 0.092856 -2.063950
C -6.776407 -0.054231 -0.151219
C 3.874610 -0.058026 -0.106703
H -2.916955 -0.163885 1.533026
H -2.932478 1.908230 0.136938
H -2.279605 0.993621 -1.253763
H -1.822451 -1.584281 -0.977743
H -2.187326 -2.353857 0.594425
H -0.457132 2.243036 -0.119822
H -0.881183 1.502617 1.458588
H -0.427796 -1.012053 1.726675
H 0.264958 -1.887164 0.324259
H -4.552245 -1.617470 0.252483
H -4.228621 -0.672195 -1.216435
H 1.703789 0.268514 1.403410
H 1.666975 1.556591 0.166650
H 2.231786 -1.401245 -0.478925
H -5.153372 1.394222 -0.115294
H -5.360267 0.509606 1.410027
H 2.646104 1.130343 -2.206410
H 2.879485 -0.564562 -2.732416
H 1.227985 0.034814 -2.338581
H -6.821220 -0.154022 -1.252320
H -7.040274 -1.036450 0.284512
H -7.552865 0.671250 0.153864
H 4.363638 -2.133295 0.292789
H 6.012083 0.091119 0.632637


