%chk=000218374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218374

0 1
O 0.912811 0.883904 1.089335
O -1.437692 -3.254650 0.046340
O -1.714517 1.354856 -2.662034
O -3.720157 2.146913 0.056536
N 2.707361 -2.137260 1.218241
N 2.634433 -0.717543 0.979718
N -0.923780 -1.483679 1.428094
N -1.509447 3.241990 -1.353142
N -2.939239 0.046099 -0.508859
C 1.336999 -2.603776 1.262144
C 0.479395 -1.528068 1.274396
C 1.258698 -0.274047 1.129407
C 3.766893 0.091522 1.365767
C 0.963011 3.642327 -1.754456
C 3.604041 -2.825090 0.243388
C 1.026035 -4.036709 1.368868
C -0.496135 3.904674 -2.207020
C 1.338544 2.170139 -1.933298
C 1.200519 4.097299 -0.312076
C -1.808713 -2.308494 0.716827
C 3.791757 1.420961 0.902122
C 4.822153 -0.417334 2.141734
C -3.237569 -1.914590 0.926543
C -3.768910 -0.734607 0.362926
C 4.890414 2.225200 1.203832
C 5.915454 0.404618 2.425639
C -4.059493 -2.736387 1.708601
C 5.956717 1.720916 1.957154
C -1.985821 1.991978 -1.658151
C -5.090910 -0.350191 0.647711
C -2.994077 1.437209 -0.607585
C -5.380120 -2.367463 1.967928
C -5.886019 -1.168940 1.448697
H 1.611636 4.257679 -2.430990
H 4.591336 -2.328736 0.225077
H 3.215353 -2.835702 -0.788773
H 3.753173 -3.863481 0.584309
H 1.892709 -4.700750 1.268681
H 0.543694 -4.264171 2.335412
H 0.280353 -4.325952 0.589474
H -1.275707 -0.657835 1.922912
H -0.708305 4.996707 -2.201944
H -0.624708 3.550668 -3.259251
H 2.423544 2.029087 -1.931538
H 0.947243 1.758198 -2.872391
H 0.927688 1.548428 -1.123470
H 0.752643 3.398611 0.410882
H 0.792356 5.092797 -0.118288
H 2.271698 4.130564 -0.082563
H 2.949564 1.820043 0.328638
H 4.786295 -1.431864 2.536003
H -1.721536 3.682057 -0.458655
H 4.915424 3.255244 0.848501
H 6.738354 0.014607 3.024155
H -3.657509 -3.665819 2.116689
H 6.811819 2.354206 2.182870
H -2.312210 -0.471452 -1.144052
H -5.482837 0.590657 0.250382
H -6.015635 -3.008645 2.576470
H -6.913571 -0.873025 1.667435


%chk=000218374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218374

0 1
O 0.911556 0.602375 1.550670
O -1.764628 -3.740275 1.310752
O -0.767077 0.506864 -1.931469
O -3.624490 2.174133 -0.501658
N 2.736410 -2.416292 1.054084
N 2.689684 -0.992235 1.213760
N -0.843625 -1.583924 1.286549
N -1.460096 2.755287 -2.082516
N -2.757224 -0.023339 -0.205281
C 1.392201 -2.882655 0.980627
C 0.542983 -1.800078 1.176449
C 1.340619 -0.575089 1.322395
C 3.841176 -0.257420 1.631490
C 0.692675 4.089344 -2.186237
C 3.737456 -2.912106 0.075141
C 1.147341 -4.334677 0.692079
C -0.375820 3.248923 -2.943923
C 1.488966 3.228272 -1.178861
C 0.066454 5.328210 -1.502349
C -1.909782 -2.476357 1.306145
C 3.925867 1.121370 1.312032
C 4.872316 -0.887597 2.374354
C -3.276198 -1.837557 1.383498
C -3.661033 -0.635626 0.705274
C 5.050473 1.859613 1.735749
C 5.999496 -0.138656 2.773800
C -4.234806 -2.508115 2.183482
C 6.095614 1.236227 2.457161
C -1.557500 1.467200 -1.649851
C -4.958309 -0.094476 0.910280
C -2.778870 1.251778 -0.723029
C -5.526379 -1.979606 2.372936
C -5.875454 -0.759736 1.746873
H 1.393641 4.446400 -2.970907
H 4.736358 -2.538248 0.345452
H 3.495090 -2.589171 -0.956509
H 3.749326 -4.011159 0.123032
H 1.330812 -4.575523 -0.373320
H 1.807293 -4.975649 1.304846
H 0.096186 -4.570459 0.917766
H -1.038485 -0.586658 1.470879
H -0.823707 3.861536 -3.750259
H 0.099911 2.363427 -3.401748
H 2.270685 3.836898 -0.686199
H 1.978646 2.375338 -1.683816
H 0.835869 2.814625 -0.388660
H -0.609762 5.028832 -0.679469
H -0.509937 5.943995 -2.219374
H 0.852002 5.969340 -1.063311
H 3.112087 1.598554 0.761327
H 4.768686 -1.938869 2.662351
H -2.197466 3.387889 -1.749967
H 5.111741 2.926489 1.494814
H 6.794215 -0.627397 3.348159
H -3.933301 -3.449066 2.654413
H 6.968915 1.815530 2.775196
H -1.955277 -0.568593 -0.564674
H -5.227547 0.837680 0.409436
H -6.248538 -2.505652 3.005419
H -6.871938 -0.329970 1.896018


