%chk=000280044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280044

0 1
O 1.871006 1.807625 -0.867080
O 2.542582 -0.078934 2.334510
O 6.207296 -0.912465 0.679923
N 3.081096 -0.110027 -0.561410
N 4.752891 0.449768 2.555181
N 5.090567 -2.147961 -0.872397
C -4.414139 -0.352397 0.069963
C -3.192484 0.428688 -0.432454
C -5.724367 0.338137 -0.332290
C -1.882437 -0.262620 -0.030952
C -6.946438 -0.442137 0.169964
C -0.665664 0.523358 -0.533172
C -8.257868 0.247470 -0.232023
C 0.642957 -0.171177 -0.142041
C -9.477868 -0.524633 0.265508
C 1.840178 0.653301 -0.526491
C 3.886716 -0.382809 0.384517
C 3.663544 -0.005521 1.854520
C 5.171881 -1.148861 0.074458
H -4.367495 -0.456886 1.171323
H -4.394168 -1.383762 -0.331704
H -3.213372 1.459783 -0.028398
H -3.241124 0.536473 -1.533352
H -5.771817 0.443965 -1.433275
H -5.745094 1.369378 0.070292
H -1.862861 -1.293680 -0.433396
H -1.836081 -0.367353 1.071116
H -6.901107 -0.547541 1.270979
H -6.927518 -1.473664 -0.230951
H -0.712744 0.645053 -1.633707
H -0.677993 1.554634 -0.121602
H -8.305779 0.352170 -1.333611
H -8.279158 1.279137 0.170621
H 0.690796 -1.187135 -0.584136
H 0.685249 -0.331100 0.968205
H -9.481397 -0.613350 1.357844
H -9.508172 -1.540111 -0.145356
H -10.408456 -0.024940 -0.025824
H 5.702555 0.389387 2.184368
H 4.656772 0.686604 3.533271
H 4.288324 -2.249056 -1.478382
H 5.932893 -2.632010 -1.155258


%chk=000280044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280044

0 1
O 2.039853 1.062861 -1.799270
O 2.077155 1.006663 1.426418
O 5.928570 -0.879395 1.696679
N 3.203829 -0.559820 -0.621787
N 4.055569 0.795792 2.662052
N 5.582060 -1.793195 -0.417292
C -4.392785 -0.490445 -0.128876
C -3.085547 0.291891 -0.387500
C -5.646606 0.412002 -0.084792
C -1.833292 -0.612158 -0.442020
C -6.953320 -0.367331 0.186248
C -0.532392 0.185768 -0.675601
C -8.207518 0.535536 0.227298
C 0.710453 -0.729129 -0.734990
C -9.508114 -0.250770 0.500353
C 1.976095 0.056137 -1.049357
C 3.852012 -0.340540 0.481350
C 3.256024 0.558882 1.579329
C 5.211087 -1.026535 0.649862
H -4.305264 -1.042529 0.830525
H -4.523427 -1.259867 -0.918804
H -2.950831 1.055087 0.406938
H -3.174631 0.850692 -1.342368
H -5.738751 0.958099 -1.047069
H -5.512577 1.186598 0.699255
H -1.961545 -1.363535 -1.250102
H -1.754413 -1.183497 0.506742
H -6.863416 -0.911168 1.150165
H -7.087924 -1.143740 -0.596117
H -0.603840 0.760733 -1.617895
H -0.385097 0.921544 0.136963
H -8.297069 1.077782 -0.736249
H -8.071252 1.311585 1.008168
H 0.580152 -1.491285 -1.532793
H 0.840080 -1.275463 0.217171
H -9.454886 -0.779216 1.471143
H -9.683229 -1.010849 -0.284585
H -10.389111 0.416863 0.526796
H 4.979052 0.330686 2.703683
H 3.698068 1.382635 3.416253
H 4.960883 -1.843860 -1.227937
H 6.477598 -2.278709 -0.400685


