%chk=000191317.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191317

0 1
O -0.106535 0.336315 -0.844993
O -0.072776 2.607876 -0.669135
N 0.820837 -2.635006 -1.370023
C 0.247105 0.060156 0.558193
C -0.742355 0.798053 1.481790
C 0.120552 -1.459868 0.690975
C 1.705788 0.461919 0.733515
C -0.350028 -2.241438 -0.513833
C -2.186935 0.518418 1.170646
C 2.157655 1.228185 1.813542
C 2.624690 0.016387 -0.232471
C 0.401137 -2.052339 1.854118
C -2.938581 1.454285 0.442062
C -2.803258 -0.657628 1.625780
C -0.186707 1.614250 -1.344607
C 3.515413 1.550656 1.924351
C 3.976587 0.341676 -0.120122
C 1.635792 -3.705410 -0.723164
C 0.334551 -3.095344 -2.706599
C 4.425180 1.110729 0.959991
C -0.478939 1.491084 -2.819996
C -4.286301 1.211312 0.167308
C -4.151383 -0.895980 1.347079
C -4.896096 0.035823 0.617150
C 0.242718 2.578367 -3.603034
H -0.527719 0.533857 2.538053
H -0.544825 1.896013 1.401632
H -1.027359 -1.595312 -1.126501
H -0.963550 -3.109342 -0.185676
H 1.466683 1.589150 2.572837
H 2.265189 -0.594594 -1.069886
H 0.323944 -3.117567 2.011507
H 0.743528 -1.523655 2.731509
H -2.467689 2.375612 0.095278
H -2.229613 -1.386866 2.195480
H 3.859752 2.150943 2.764190
H 4.682041 -0.004333 -0.872909
H 2.477445 -3.966525 -1.383523
H 2.072210 -3.302733 0.207050
H 1.087496 -4.626205 -0.480153
H -0.204939 -2.268836 -3.196000
H -0.323507 -3.975848 -2.684457
H 1.204917 -3.331618 -3.339613
H 5.479296 1.365703 1.047169
H -0.188274 0.480406 -3.183668
H -1.578770 1.560545 -2.965214
H -4.864033 1.942215 -0.395879
H -4.623915 -1.809767 1.702786
H -5.945702 -0.150889 0.403675
H 1.332603 2.452319 -3.560490
H -0.052357 2.569247 -4.658398
H 0.020139 3.577702 -3.200122


%chk=000191317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191317

0 1
O -0.034220 0.242574 -0.897637
O 0.307246 2.563188 -0.805793
N 0.729087 -2.703969 -1.348431
C 0.306903 0.007816 0.560802
C -0.710113 0.792316 1.458891
C 0.138687 -1.521272 0.760122
C 1.776932 0.418610 0.780510
C -0.366469 -2.380426 -0.392353
C -2.178049 0.533640 1.144646
C 2.189829 1.325714 1.783297
C 2.756431 -0.178072 -0.057260
C 0.450075 -2.079889 1.957912
C -2.880242 1.390403 0.256571
C -2.886477 -0.539331 1.746174
C 0.054136 1.519989 -1.450266
C 3.560373 1.632891 1.949642
C 4.120512 0.138870 0.100356
C 1.618567 -3.775020 -0.864698
C 0.245458 -2.928837 -2.723486
C 4.530238 1.044598 1.108634
C -0.208839 1.440241 -2.948969
C -4.244831 1.171517 -0.037550
C -4.251370 -0.761696 1.454840
C -4.935736 0.090564 0.557601
C -0.279629 2.823758 -3.618283
H -0.495282 0.502137 2.503187
H -0.493960 1.867752 1.347907
H -1.150417 -1.836378 -0.943510
H -0.827025 -3.309519 0.026560
H 1.455782 1.813546 2.431629
H 2.423722 -0.896333 -0.819385
H 0.304433 -3.151742 2.133844
H 0.871574 -1.501084 2.788070
H -2.354694 2.243351 -0.189465
H -2.365008 -1.199731 2.448228
H 3.866720 2.339176 2.729675
H 4.866812 -0.323212 -0.556389
H 2.462562 -3.902005 -1.566555
H 2.031371 -3.500244 0.121381
H 1.100554 -4.762886 -0.761065
H -0.310611 -2.038700 -3.066519
H -0.424821 -3.820108 -2.823055
H 1.106667 -3.078831 -3.400118
H 5.591291 1.287895 1.235755
H 0.597775 0.824558 -3.393422
H -1.144031 0.868109 -3.101180
H -4.770750 1.848397 -0.720758
H -4.782113 -1.592898 1.933442
H -5.995589 -0.077872 0.335116
H 0.651692 3.390299 -3.449640
H -0.435209 2.716170 -4.706424
H -1.108844 3.424077 -3.205379


