%chk=000187739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187739

0 1
O 1.504026 0.232424 -1.729666
O 5.990565 2.073224 0.314281
N -1.070678 -0.473822 0.217533
N -8.835010 0.275219 -0.832557
C 1.832830 -0.295482 -0.412987
C 1.143507 0.731046 0.529318
C 1.136396 -1.662049 -0.183644
C 1.389995 0.325305 1.993671
C 1.358034 -2.123344 1.270571
C -0.352582 0.841906 0.161060
C -0.357676 -1.540916 -0.560356
C 0.899216 -1.092987 2.311237
C 3.356142 -0.324984 -0.287666
C -2.476312 -0.326484 -0.292099
C 4.048565 0.858874 -0.034736
C 4.081960 -1.517283 -0.481620
C -3.342880 0.326218 0.803555
C 2.101997 -0.421268 -2.862102
C 5.455457 0.830637 0.049427
C 5.473180 -1.523113 -0.395165
C -4.789405 0.326986 0.398922
C 6.186013 -0.349277 -0.124870
C -5.316144 1.386586 -0.355974
C -5.629269 -0.737569 0.761682
C -6.656189 1.395476 -0.737969
C -6.972085 -0.747639 0.389922
C 7.430000 2.181162 0.420945
C -7.492782 0.321611 -0.368556
H 1.596190 1.739594 0.354426
H 1.583539 -2.427258 -0.864312
H 0.885149 1.046772 2.663261
H 2.472878 0.404470 2.215017
H 2.432105 -2.346340 1.423579
H 0.817785 -3.074292 1.437531
H -0.856577 1.517890 0.885093
H -0.422214 1.315234 -0.846473
H -0.424096 -1.372563 -1.659521
H -0.868106 -2.501847 -0.332860
H 1.250221 -1.394454 3.314736
H -0.211778 -1.091392 2.355435
H -2.544961 0.260441 -1.232660
H -2.886302 -1.334681 -0.520265
H 3.529279 1.809315 0.089938
H 3.556982 -2.444797 -0.701164
H -2.991693 1.356955 1.008215
H -3.195758 -0.218999 1.759652
H 1.858322 -1.485818 -2.878189
H 3.185671 -0.263550 -2.864339
H 1.634292 0.100043 -3.706163
H 6.019724 -2.455120 -0.541142
H 7.266677 -0.370030 -0.057695
H -4.671145 2.214709 -0.648452
H -5.227841 -1.568136 1.342270
H -7.047350 2.218492 -1.328927
H -7.607695 -1.582057 0.671619
H 7.903311 1.904983 -0.525456
H 7.796150 1.574211 1.253748
H 7.559798 3.251607 0.627640
H -9.250025 1.167239 -1.061753
H -9.466104 -0.297480 -0.290148


%chk=000187739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187739

0 1
O 1.574688 0.372290 -1.689701
O 6.105063 2.148840 0.191922
N -1.071576 -0.447195 0.202355
N -8.938656 0.215666 -0.767746
C 1.855582 -0.269170 -0.358698
C 1.154348 0.681909 0.656612
C 1.117400 -1.637417 -0.229247
C 1.377907 0.172926 2.108001
C 1.286038 -2.226267 1.206182
C -0.340822 0.847024 0.278610
C -0.366356 -1.452293 -0.633626
C 0.841404 -1.262066 2.335159
C 3.389478 -0.331476 -0.200076
C -2.479506 -0.288785 -0.227216
C 4.109525 0.873454 -0.034121
C 4.127398 -1.538887 -0.340314
C -3.363674 0.457664 0.808015
C 2.122412 -0.309805 -2.862812
C 5.522692 0.880652 0.020285
C 5.536346 -1.529595 -0.288031
C -4.834907 0.417121 0.423730
C 6.253890 -0.326787 -0.101887
C -5.392444 1.370894 -0.466555
C -5.692831 -0.606812 0.901563
C -6.742840 1.313077 -0.865879
C -7.046150 -0.682247 0.515371
C 7.566260 2.222259 0.238055
C -7.595236 0.280180 -0.380040
H 1.603280 1.689544 0.565555
H 1.542042 -2.369944 -0.946093
H 0.886136 0.871590 2.813323
H 2.462812 0.210042 2.330837
H 2.347220 -2.498906 1.361201
H 0.704366 -3.167502 1.269055
H -0.823342 1.474391 1.052125
H -0.400359 1.396267 -0.691597
H -0.411198 -1.180025 -1.718261
H -0.891113 -2.421550 -0.515789
H 1.199942 -1.645735 3.311465
H -0.259942 -1.229055 2.362211
H -2.553121 0.238720 -1.214972
H -2.903229 -1.301198 -0.375021
H 3.592946 1.835046 0.034641
H 3.610617 -2.489683 -0.499599
H -3.027307 1.508368 0.894979
H -3.202272 -0.018769 1.793583
H 1.703782 -1.329632 -2.990758
H 3.227304 -0.376561 -2.823840
H 1.823977 0.310765 -3.723501
H 6.088611 -2.470165 -0.395890
H 7.346953 -0.341382 -0.062084
H -4.758384 2.180025 -0.851371
H -5.294730 -1.358634 1.595325
H -7.144866 2.069512 -1.552005
H -7.685019 -1.483065 0.909244
H 8.019248 1.856579 -0.704416
H 7.973776 1.646551 1.092179
H 7.795912 3.290030 0.368780
H -9.329726 0.901660 -1.406085
H -9.546454 -0.518840 -0.418334


