%chk=000275176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275176

0 1
O 1.200842 0.078898 1.343803
O -2.087172 -0.425244 2.167255
O -0.235779 1.517785 2.336783
N 3.444498 1.524967 -0.331825
C -1.155241 -0.375566 1.064712
C -1.854021 0.159608 -0.173902
C -0.632942 -1.792368 0.890466
C -1.368504 1.221586 -0.965640
C -3.069403 -0.471425 -0.552654
C -0.043054 0.542538 1.645983
C 3.446185 0.518568 0.775596
C 2.354340 0.874867 1.788011
C 3.870317 0.917516 -1.636685
C 4.289189 2.716411 0.019645
C -2.118427 1.672482 -2.069850
C -3.797674 -0.002929 -1.656022
C -0.023892 -2.168813 -0.315435
C -0.747417 -2.716439 1.938158
C -0.075581 1.924969 -0.725035
C -3.611807 -1.662425 0.168009
C -3.327569 1.073380 -2.407314
C 2.795650 -0.039948 -2.152020
C 3.861702 3.918301 -0.823857
C 0.465364 -3.468358 -0.469624
C -0.258731 -4.015567 1.776202
C 0.347794 -4.392687 0.573905
H 3.211266 -0.495429 0.362357
H 4.425181 0.423496 1.290356
H 2.074763 1.944406 1.793438
H 2.581240 0.531072 2.809782
H 4.002130 1.746308 -2.369351
H 4.848719 0.394706 -1.568324
H 4.134657 2.956865 1.095046
H 5.376828 2.525901 -0.107515
H -1.745926 2.503345 -2.665774
H -4.733685 -0.484576 -1.930276
H 0.068025 -1.447603 -1.128166
H -1.224966 -2.414536 2.873595
H -2.431352 0.485462 2.357582
H -0.112019 2.561007 0.173970
H 0.785856 1.237630 -0.618533
H 0.203190 2.597313 -1.548918
H -2.990056 -2.551451 -0.023996
H -3.613832 -1.520095 1.263637
H -4.637753 -1.911661 -0.125551
H -3.901721 1.437942 -3.258631
H 3.037695 -0.400469 -3.156439
H 1.815564 0.457631 -2.197101
H 2.674736 -0.913333 -1.497981
H 4.348039 4.835619 -0.476516
H 2.774802 4.069883 -0.765920
H 4.108491 3.786633 -1.883360
H 0.936851 -3.761781 -1.405459
H -0.350009 -4.733189 2.589524
H 0.728518 -5.404606 0.450058


%chk=000275176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275176

0 1
O 1.259410 0.053900 1.015881
O -2.216253 -0.154866 2.158021
O 0.123961 0.825986 2.887861
N 3.376933 1.565487 -0.554406
C -1.155041 -0.387127 1.163082
C -1.645563 0.158464 -0.204107
C -0.788498 -1.899416 1.135357
C -1.194320 1.393094 -0.776285
C -2.687900 -0.580574 -0.865063
C 0.132227 0.259440 1.761168
C 3.576349 0.495149 0.453339
C 2.548624 0.554264 1.584077
C 3.656956 1.121037 -1.948162
C 4.082174 2.821432 -0.174276
C -1.686335 1.779461 -2.051998
C -3.151286 -0.148655 -2.131239
C -0.078292 -2.455531 0.043429
C -1.104210 -2.714625 2.245682
C -0.239676 2.378078 -0.111238
C -3.388673 -1.785787 -0.250103
C -2.634844 1.008045 -2.746015
C 2.571510 0.182200 -2.508526
C 3.522348 4.078230 -0.866519
C 0.293417 -3.816773 0.056180
C -0.726063 -4.076510 2.261750
C -0.027228 -4.634143 1.166865
H 3.490428 -0.491961 -0.033009
H 4.595780 0.537529 0.910386
H 2.392350 1.578080 1.967009
H 2.820663 -0.107796 2.427304
H 3.701279 2.023509 -2.583068
H 4.661294 0.631335 -2.024792
H 3.966929 2.948090 0.919508
H 5.183369 2.741685 -0.366247
H -1.326055 2.718680 -2.488897
H -3.942200 -0.725033 -2.625789
H 0.172389 -1.823850 -0.815226
H -1.670506 -2.279524 3.074500
H -1.814794 0.416065 2.875516
H -0.429652 2.494694 0.969468
H 0.820319 2.092471 -0.253930
H -0.376564 3.375778 -0.564602
H -2.816280 -2.720216 -0.390181
H -3.546377 -1.652754 0.831635
H -4.374639 -1.922765 -0.728289
H -2.997373 1.325480 -3.730202
H 2.808288 -0.093608 -3.553103
H 1.585425 0.677416 -2.485719
H 2.489344 -0.752455 -1.924856
H 4.032770 4.981598 -0.484512
H 2.440898 4.173713 -0.667162
H 3.667885 4.054278 -1.961244
H 0.830609 -4.241521 -0.799713
H -0.983059 -4.701211 3.124916
H 0.261652 -5.691374 1.175743


