%chk=000198841.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198841

0 1
S -2.124305 5.985219 0.813464
O -4.763153 -5.687782 -1.546386
N -0.716767 -1.069721 0.845560
N -2.626715 -3.111355 0.063777
N 2.654693 -0.655732 0.208407
N 2.729958 1.460088 -0.688893
N 4.596442 -0.104041 -1.215665
C -0.374567 -2.099220 -0.188333
C -1.699471 -1.639347 1.828374
C -1.658227 -2.532828 -0.924552
C -2.979174 -2.071126 1.084837
C 0.498716 -0.573614 1.580024
C -3.849559 -3.635672 -0.620122
C 1.499140 0.019868 0.655706
C 1.571572 1.305841 0.086643
C -3.576878 -5.105309 -0.990811
C 3.403622 0.289969 -0.636268
C 0.635629 2.420975 0.242675
C 3.133289 -1.942078 0.430468
C 1.133401 3.732767 0.371587
C -0.749445 2.198158 0.253352
C 4.319728 -2.291208 -0.163711
C 5.022371 -1.337042 -0.983008
C 0.255110 4.802838 0.533357
C -1.632483 3.270266 0.418270
C -1.125358 4.561357 0.560783
C -3.815824 5.478973 0.441455
H 0.129612 -2.991696 0.239798
H 0.319478 -1.635860 -0.924008
H -1.956676 -0.847896 2.564875
H -1.291049 -2.504502 2.395670
H -2.076258 -1.666788 -1.484221
H -1.404820 -3.316414 -1.669604
H -3.688408 -2.520868 1.813011
H -3.474444 -1.179624 0.641829
H 0.970918 -1.352994 2.221130
H 0.144618 0.232468 2.275099
H -4.147626 -3.054343 -1.516685
H -4.725249 -3.603766 0.066000
H -3.388172 -5.726002 -0.093471
H -2.739593 -5.217482 -1.698606
H 2.550212 -2.616666 1.063608
H 2.211501 3.906936 0.331869
H -1.142541 1.184112 0.124477
H 4.743858 -3.283650 -0.025953
H -4.976501 -5.286009 -2.409400
H 5.972884 -1.629299 -1.453596
H 0.648610 5.815573 0.629453
H -2.702592 3.077070 0.431250
H -3.908796 5.055369 -0.565008
H -4.441193 6.382161 0.487494
H -4.203017 4.760329 1.171501


%chk=000198841-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198841

0 1
S -2.216781 6.075914 0.354289
O -4.911225 -5.568725 -1.779796
N -0.704786 -1.136126 0.864451
N -2.694551 -3.071025 0.039393
N 2.724301 -0.655722 0.291684
N 2.852181 1.470195 -0.586710
N 4.751086 -0.025509 -0.964184
C -0.411823 -2.128394 -0.198986
C -1.695820 -1.677078 1.828809
C -1.707809 -2.522235 -0.924187
C -2.988666 -2.073509 1.097113
C 0.514745 -0.633665 1.559153
C -3.910132 -3.612962 -0.609274
C 1.535078 -0.011942 0.648604
C 1.638171 1.292057 0.085829
C -3.681885 -5.029442 -1.177828
C 3.524117 0.305584 -0.476455
C 0.666057 2.393547 0.154849
C 3.212970 -1.928787 0.522515
C 1.114912 3.726206 -0.072682
C -0.713082 2.179859 0.424211
C 4.469589 -2.254481 0.020559
C 5.208199 -1.272149 -0.719288
C 0.223744 4.808888 -0.005647
C -1.610996 3.266439 0.492985
C -1.150244 4.588559 0.286197
C -3.908081 5.352710 0.718278
H 0.057168 -3.054012 0.223163
H 0.291509 -1.676444 -0.921255
H -1.919937 -0.897705 2.581968
H -1.295486 -2.573764 2.365458
H -2.112060 -1.620145 -1.449812
H -1.476442 -3.287078 -1.686834
H -3.695015 -2.519988 1.820869
H -3.459658 -1.148812 0.676624
H 0.999990 -1.447376 2.158571
H 0.179876 0.132080 2.285313
H -4.286177 -2.939748 -1.425098
H -4.716258 -3.681203 0.144075
H -3.434929 -5.724156 -0.360642
H -2.847293 -5.037976 -1.910037
H 2.588793 -2.624043 1.088670
H 2.171582 3.887208 -0.307481
H -1.090700 1.154044 0.528872
H 4.881144 -3.251953 0.188240
H -5.171880 -4.999712 -2.547918
H 6.197704 -1.512230 -1.121736
H 0.589703 5.826851 -0.181306
H -2.668356 3.064968 0.692101
H -4.225747 4.675933 -0.090404
H -4.589961 6.215868 0.763771
H -3.910339 4.831588 1.688446


