%chk=000207901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207901

0 1
O 2.324778 -0.380595 -0.865215
N 5.727566 0.652328 -0.043707
N -3.100180 -0.446866 0.470075
N -4.011342 -0.379858 -1.722777
C 6.156882 1.941725 -0.674873
C 6.814025 -0.263987 0.422481
C 4.631699 -0.017938 -0.798018
C 6.914303 1.791561 -2.004696
C 6.983136 2.757022 0.330559
C 7.451344 -1.134992 -0.673998
C 6.251577 -1.148386 1.547487
C 3.330441 0.271438 -0.029713
C 1.009280 -0.317841 -0.461657
C 0.541953 0.309556 0.696656
C 0.130961 -0.971060 -1.353932
C -1.717918 -0.363243 0.091119
C -0.830829 0.288348 0.965274
C -1.226854 -0.994794 -1.074582
C -4.191380 -0.323703 -0.437967
C -5.497266 -0.194017 0.292990
C -6.099277 -1.326744 0.854831
C -6.113495 1.060324 0.392185
C -7.324280 -1.202033 1.516991
C -7.337602 1.178215 1.056096
C -7.942720 0.048490 1.617831
C -5.140423 -0.358332 -2.657175
H 5.205853 2.509516 -0.878515
H 7.619728 0.387292 0.860093
H 4.779710 -1.117787 -0.870288
H 4.533735 0.336038 -1.846918
H 6.290577 1.320667 -2.771613
H 7.814801 1.172842 -1.892438
H 7.230546 2.765062 -2.391825
H 7.971499 2.318273 0.507085
H 7.134158 3.780113 -0.027551
H 6.472753 2.813362 1.300680
H 7.905012 -0.515653 -1.459029
H 6.720341 -1.792553 -1.155932
H 8.236797 -1.774725 -0.259937
H 5.754085 -0.536894 2.310419
H 7.049083 -1.714950 2.036875
H 5.512035 -1.867139 1.179081
H 3.322426 -0.187327 0.971811
H 3.103002 1.347088 0.034214
H 1.214079 0.811413 1.384381
H 0.534329 -1.445001 -2.246474
H -1.198030 0.781877 1.862786
H -1.917279 -1.495241 -1.759249
H -3.300995 -0.102298 1.412667
H -5.610757 -2.298479 0.774436
H -5.640608 1.937439 -0.049143
H -7.796285 -2.080549 1.954573
H -7.820656 2.150931 1.135573
H -8.896908 0.143258 2.134318
H -5.135773 -1.303805 -3.230523
H -6.141293 -0.228968 -2.216949
H -4.969844 0.461980 -3.378972


%chk=000207901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207901

0 1
O 2.359983 -0.356990 -1.186347
N 5.841011 0.453218 -0.106816
N -3.133515 0.039124 0.164243
N -4.248113 -0.752988 -1.772332
C 6.142655 1.897228 -0.312263
C 6.952244 -0.470055 0.248180
C 4.750143 -0.081821 -0.941775
C 7.136334 2.199021 -1.472325
C 6.602617 2.582752 0.996135
C 7.639604 -1.179979 -0.957254
C 6.477035 -1.519167 1.284295
C 3.391126 0.117217 -0.248405
C 1.013999 -0.237881 -0.793064
C 0.584420 0.281213 0.453882
C 0.051352 -0.673390 -1.734984
C -1.766357 -0.074154 -0.205488
C -0.794866 0.358590 0.736204
C -1.324685 -0.594672 -1.455490
C -4.301301 -0.287197 -0.545809
C -5.547562 -0.042589 0.277926
C -5.713168 -0.675214 1.538987
C -6.571419 0.816648 -0.199290
C -6.878267 -0.451411 2.306957
C -7.732779 1.044941 0.570856
C -7.890055 0.411636 1.826078
C -5.457895 -1.178973 -2.492920
H 5.171932 2.357340 -0.589553
H 7.719461 0.155938 0.743586
H 4.893279 -1.162436 -1.117737
H 4.706932 0.394259 -1.946195
H 6.816006 1.706524 -2.408894
H 8.155504 1.848728 -1.225043
H 7.192313 3.287740 -1.660907
H 7.587842 2.208456 1.332065
H 6.699927 3.673980 0.845255
H 5.871741 2.398219 1.802615
H 7.993974 -0.453071 -1.707332
H 6.947876 -1.882088 -1.459138
H 8.508434 -1.768614 -0.606954
H 6.066238 -1.016812 2.177150
H 7.312522 -2.174582 1.594980
H 5.685988 -2.166101 0.859371
H 3.355702 -0.463267 0.695376
H 3.224558 1.189225 -0.013158
H 1.302878 0.622452 1.204827
H 0.400801 -1.070020 -2.693665
H -1.117096 0.762029 1.705693
H -2.077973 -0.915694 -2.176922
H -3.301870 0.479640 1.070438
H -4.939148 -1.360250 1.905158
H -6.444927 1.319202 -1.164779
H -6.997419 -0.951639 3.274537
H -8.511182 1.717958 0.194689
H -8.792263 0.587602 2.422287
H -5.258117 -2.160813 -2.961560
H -6.377584 -1.269010 -1.877382
H -5.668371 -0.469597 -3.318091


