%chk=000272701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272701

0 1
O 5.855778 -0.691489 1.634006
N 4.978439 0.285497 -0.264849
N -1.430399 0.231407 0.311182
N -0.931126 -2.193735 0.368705
N -1.976331 0.669603 -0.718705
N -2.266335 -2.499155 0.485936
N -3.920258 -4.138497 0.810904
N -1.804416 -4.876853 -0.040235
C 0.870912 -0.630623 0.112623
C 3.597724 -0.047164 -0.098735
C 1.349525 0.082659 -0.997733
C 1.760900 -1.051348 1.112741
C 2.705830 0.375851 -1.110109
C 3.120765 -0.762336 1.013465
C -0.577101 -0.947494 0.218473
C 6.033431 -0.056044 0.616397
C -2.832309 1.831216 -0.590912
C -3.044357 2.545471 -1.785176
C -3.473926 2.218814 0.598418
C 7.377799 0.443866 0.164480
C -3.894067 3.652783 -1.776660
C -4.325427 3.325496 0.588163
C -4.534170 4.042775 -0.594522
C -2.591282 -3.790481 0.421898
H 0.656813 0.404818 -1.778140
H 1.384627 -1.609672 1.973009
H 3.064765 0.926938 -1.975298
H 3.810031 -1.092782 1.799108
H 5.203493 0.820702 -1.105967
H -2.548792 2.230388 -2.703966
H -3.304901 1.654692 1.518213
H 7.679453 0.028249 -0.805887
H 8.149783 0.141359 0.893540
H 7.419996 1.538934 0.096157
H -4.061127 4.213247 -2.695433
H -4.826543 3.630379 1.506080
H -5.197706 4.906288 -0.596332
H -4.508442 -3.332927 1.028040
H -4.398322 -4.773558 0.179360
H -0.804033 -4.689717 -0.092711
H -1.999395 -5.787057 0.358471


%chk=000272701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272701

0 1
O 6.171331 -1.842796 0.421095
N 5.199734 0.289211 0.229881
N -1.248806 0.485465 -0.260051
N -0.931925 -1.921312 0.140388
N -2.347112 0.435358 -0.970885
N -2.294391 -2.172928 0.021315
N -3.908416 -3.803648 0.379286
N -1.643015 -4.309805 0.917254
C 0.989236 -0.453910 -0.006124
C 3.809124 -0.009958 0.154196
C 1.521410 0.865174 -0.034643
C 1.903546 -1.537727 0.093960
C 2.907302 1.082842 0.044175
C 3.292773 -1.334784 0.174873
C -0.472517 -0.686415 -0.109906
C 6.284069 -0.583580 0.355109
C -3.169170 1.611211 -0.851403
C -4.236527 1.695939 -1.783526
C -2.995749 2.631470 0.126432
C 7.638854 0.127593 0.407310
C -5.115755 2.798755 -1.753288
C -3.881793 3.725048 0.154946
C -4.941608 3.815469 -0.783989
C -2.585061 -3.427412 0.451128
H 0.831597 1.710296 -0.113073
H 1.506401 -2.557271 0.096022
H 3.294647 2.110515 0.022710
H 3.984332 -2.175457 0.249510
H 5.430478 1.285230 0.187315
H -4.347103 0.888413 -2.514938
H -2.173568 2.537946 0.843366
H 7.817511 0.722650 -0.507722
H 8.428527 -0.632236 0.493884
H 7.703502 0.806961 1.277763
H -5.935151 2.865563 -2.477436
H -3.755871 4.510634 0.909004
H -5.627972 4.669344 -0.754471
H -4.554710 -3.107656 0.013009
H -4.257560 -4.676449 0.762202
H -0.695131 -3.922413 0.941921
H -1.826167 -5.284829 1.131399


