%chk=000271942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271942

0 1
O 2.041143 0.705503 2.446306
N 0.113253 1.035742 0.481095
N 1.456225 1.133341 0.231293
C -3.077224 -2.575810 0.570340
C -2.645817 -1.354594 -0.251876
C -3.106649 -3.846752 -0.288836
C -2.626948 -0.082830 0.610006
C -3.533503 -5.070585 0.534003
C -2.184388 1.106214 -0.194794
C -3.566972 -6.339445 -0.315196
C -3.010148 2.054266 -0.666043
C -0.731025 1.208302 -0.495987
C -4.468344 2.074449 -0.454785
C 4.457525 0.010680 0.202044
C 3.788634 1.108139 0.835831
C 5.802118 0.192456 -0.218776
C 3.826144 -1.256020 -0.015522
C 4.433799 2.303644 1.053171
C 6.449147 1.447829 0.010998
C 2.373064 0.946507 1.314633
C -5.330746 1.687618 -1.492861
C -4.999764 2.506263 0.771183
C 6.485779 -0.889051 -0.861682
C 5.783053 2.474231 0.633481
C 4.507561 -2.275177 -0.631323
C 5.853765 -2.089529 -1.063862
C -6.714118 1.731442 -1.301261
C -6.384052 2.549259 0.953449
C -7.243221 2.162252 -0.080397
H -2.388329 -2.714706 1.426488
H -4.076114 -2.397631 1.013808
H -1.642246 -1.527335 -0.686206
H -3.332861 -1.212007 -1.108676
H -3.797966 -3.709746 -1.142388
H -2.109437 -4.024790 -0.734685
H -3.632147 0.092385 1.046986
H -1.945876 -0.219096 1.480146
H -4.531396 -4.893667 0.981032
H -2.841169 -5.209969 1.387398
H -3.872969 -7.206330 0.280995
H -4.272883 -6.248623 -1.148460
H -2.583353 -6.565388 -0.741986
H -2.639323 2.902636 -1.246015
H -0.490195 1.434661 -1.543606
H 2.801194 -1.404424 0.328255
H 3.927484 3.132392 1.551972
H 7.482723 1.570034 -0.314568
H -4.920026 1.350760 -2.441858
H -4.330140 2.807181 1.575015
H 7.516099 -0.738119 -1.182127
H 6.272132 3.430002 0.819462
H 1.819011 1.330485 -0.710278
H 4.033835 -3.243128 -0.795355
H 6.366582 -2.918231 -1.550537
H -7.381847 1.428735 -2.106004
H -6.794640 2.885144 1.904286
H -8.320430 2.196233 0.065072


%chk=000271942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271942

0 1
O 1.935570 -0.962649 2.235555
N 0.031635 0.309794 0.591911
N 1.398463 0.469342 0.450543
C -3.206794 -2.557966 1.311281
C -2.592842 -1.530172 0.335162
C -3.007534 -4.019910 0.852376
C -2.790108 -0.068556 0.834535
C -3.614174 -5.053482 1.829021
C -2.197861 0.960689 -0.115713
C -3.401443 -6.512664 1.371131
C -2.899637 1.801357 -0.962609
C -0.737228 1.040548 -0.197164
C -4.347754 2.043498 -1.103249
C 4.324067 0.096305 -0.349330
C 3.753539 0.069261 0.981391
C 5.720892 0.471658 -0.492516
C 3.602629 -0.281698 -1.535693
C 4.566939 0.317168 2.097735
C 6.501032 0.763319 0.673773
C 2.301210 -0.226247 1.281379
C -4.844166 2.404805 -2.392119
C -5.277363 2.011054 -0.021053
C 6.308490 0.518234 -1.800573
C 5.940432 0.667148 1.948540
C 4.208140 -0.237419 -2.794205
C 5.567755 0.182816 -2.934254
C -6.211597 2.671878 -2.604573
C -6.644171 2.288960 -0.231660
C -7.122697 2.609335 -1.524006
H -2.746976 -2.424422 2.312519
H -4.292173 -2.355185 1.432620
H -1.511907 -1.730842 0.224577
H -3.057289 -1.641983 -0.665461
H -3.459450 -4.157540 -0.152628
H -1.922231 -4.220584 0.736917
H -3.868882 0.100169 0.976921
H -2.296570 0.020929 1.821297
H -4.699609 -4.854064 1.942938
H -3.164557 -4.910356 2.832773
H -3.843786 -7.231597 2.085468
H -3.865272 -6.689444 0.381981
H -2.323412 -6.745043 1.281336
H -2.289423 2.381485 -1.675326
H -0.312671 1.756779 -0.932871
H 2.576853 -0.653983 -1.448599
H 4.119164 0.244824 3.094130
H 7.552280 1.048321 0.547798
H -4.143325 2.460274 -3.234613
H -4.923059 1.817438 0.995635
H 7.360990 0.811990 -1.892382
H 6.545457 0.870581 2.838063
H 1.783224 1.140331 -0.233536
H 3.642282 -0.542315 -3.681382
H 6.027157 0.218634 -3.927789
H -6.566375 2.934310 -3.607549
H -7.336392 2.268366 0.617653
H -8.185472 2.822322 -1.683306


