%chk=000224614.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224614

0 1
O -5.123481 -1.394506 -1.523106
N 4.615392 0.185927 -0.544264
N -0.334347 0.572412 1.420322
N -2.127682 -0.561162 0.312805
N -2.057532 1.893182 0.517052
C 1.817937 -0.489117 1.994087
C 2.492858 -0.262791 0.637927
C 0.296421 -0.705379 1.857719
C 4.018198 -0.125652 0.795143
C 5.897366 0.938145 -0.422189
C 4.739134 -1.046096 -1.390558
C -0.314056 -1.161648 3.189316
C 7.039616 0.225639 0.309064
C 4.900879 -0.660599 -2.861933
C -1.535521 0.617645 0.743687
C -3.282446 -0.428222 -0.403078
C -3.207896 1.969997 -0.197892
C -3.856429 0.813548 -0.683929
C -3.879918 -1.735785 -0.862857
C -3.764972 3.330728 -0.448395
C -5.811398 -2.544842 -2.046847
H 2.031300 0.358155 2.673909
H 2.256577 -1.378445 2.489263
H 2.252627 -1.091554 -0.056792
H 2.089631 0.647058 0.146282
H 0.091106 -1.485432 1.072497
H 4.241554 0.711589 1.491699
H 4.444086 -1.040696 1.257745
H 5.666336 1.901367 0.085845
H 6.222646 1.206749 -1.452746
H 3.804760 -1.641050 -1.272224
H 5.577701 -1.703256 -1.073701
H -0.164231 -0.431637 3.990917
H 0.113788 -2.113885 3.518614
H -1.397928 -1.314043 3.084070
H 0.041988 1.446216 1.785196
H 7.945295 0.841623 0.313178
H 7.294985 -0.725792 -0.171002
H 6.787006 0.009916 1.351964
H 4.142162 0.077451 -3.157570
H 5.880169 -0.213665 -3.063968
H 4.789411 -1.534440 -3.511251
H -4.778632 0.873207 -1.257077
H -4.090674 -2.404702 -0.006044
H -3.208852 -2.247964 -1.579588
H -4.779309 3.425996 -0.034602
H -3.147105 4.122896 0.005923
H -3.824798 3.539931 -1.526586
H -5.206601 -3.044995 -2.808816
H -6.086406 -3.232497 -1.241903
H -6.707213 -2.097027 -2.496207


%chk=000224614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224614

0 1
O -5.361882 -1.394717 -1.410829
N 4.705622 0.228280 -0.522112
N -0.377645 0.473746 1.341881
N -2.244761 -0.576131 0.349751
N -1.986902 1.866835 0.383375
C 1.768839 -0.614038 1.891120
C 2.477902 -0.296391 0.555360
C 0.237649 -0.798921 1.767388
C 4.004682 -0.138371 0.734352
C 5.944634 1.017405 -0.301613
C 4.853869 -0.916791 -1.456055
C -0.391791 -1.312017 3.085467
C 7.129142 0.278708 0.383823
C 5.304608 -0.501166 -2.869343
C -1.574408 0.577518 0.673692
C -3.416819 -0.411845 -0.336622
C -3.160092 1.993897 -0.296642
C -3.921339 0.854956 -0.687283
C -4.132349 -1.700365 -0.685266
C -3.619567 3.397735 -0.621013
C -6.097110 -2.602429 -1.774042
H 1.978642 0.189031 2.631667
H 2.188454 -1.544764 2.322495
H 2.255691 -1.106486 -0.167182
H 2.079505 0.634894 0.111887
H 0.018767 -1.536932 0.972098
H 4.185616 0.672822 1.467791
H 4.416530 -1.075549 1.192252
H 5.666741 1.899410 0.307419
H 6.280295 1.412060 -1.278155
H 3.864929 -1.403938 -1.537813
H 5.554170 -1.695878 -1.056610
H -0.189512 -0.612897 3.918405
H 0.022051 -2.301828 3.354690
H -1.484009 -1.413653 2.967118
H 0.064671 1.361006 1.588072
H 7.980719 0.971240 0.520466
H 7.483975 -0.574206 -0.223185
H 6.842038 -0.105991 1.379601
H 4.636638 0.283962 -3.265887
H 6.339876 -0.114738 -2.883615
H 5.266709 -1.371411 -3.550264
H -4.861588 0.939614 -1.232664
H -4.353082 -2.259225 0.251657
H -3.457261 -2.337025 -1.299740
H -4.614493 3.598656 -0.182083
H -2.898185 4.129495 -0.226092
H -3.712210 3.538613 -1.714039
H -5.496199 -3.262768 -2.435579
H -6.402047 -3.180669 -0.875447
H -6.996214 -2.266243 -2.313551


