%chk=000203142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203142

0 1
O 0.171023 -1.249859 -0.624436
O -5.076477 2.423395 0.836823
O -6.561752 -1.042469 -0.846176
O -7.142406 0.691886 0.478865
N 4.217613 -0.112191 0.020320
N -0.593458 0.776684 0.176353
C 2.870127 -0.702704 -0.235146
C 1.822666 0.401094 0.002368
C 5.272422 -1.169678 0.141441
C 6.641793 -0.548536 0.008879
C 0.427353 -0.148061 -0.193028
C -1.997237 0.562125 0.097435
C 7.537287 -1.015296 -0.963645
C 7.027619 0.490474 0.869493
C -2.830425 1.615581 0.522165
C -2.555669 -0.640594 -0.383439
C -4.804372 0.238336 -0.011358
C -4.220901 1.436359 0.458014
C -3.934513 -0.787394 -0.434107
C 8.810981 -0.448358 -1.069737
C 8.299849 1.055821 0.756813
C 9.194098 0.586767 -0.211591
C -6.261760 0.056581 -0.050850
C -7.965939 -1.422200 -0.971220
C -8.407803 -2.178036 0.265701
H 2.690757 -1.541689 0.475612
H 2.749060 -1.128325 -1.255970
H 1.963204 0.812390 1.027091
H 2.000394 1.254542 -0.685104
H 5.142827 -2.000279 -0.587911
H 5.168992 -1.627352 1.155202
H 4.465587 0.533209 -0.739413
H -0.305750 1.688641 0.543438
H 7.247938 -1.819743 -1.636755
H 6.326133 0.855200 1.620593
H -2.420158 2.547016 0.891719
H -1.905211 -1.457175 -0.715526
H -4.372239 -1.721130 -0.809795
H 9.505485 -0.814990 -1.823829
H 8.596326 1.862174 1.425645
H 10.185817 1.026441 -0.296135
H -7.931860 -2.051659 -1.878679
H -8.564419 -0.509918 -1.146056
H -4.606723 3.234484 1.164995
H -7.719555 -2.998335 0.504100
H -8.436299 -1.513761 1.143128
H -9.409825 -2.602965 0.140911


%chk=000203142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203142

0 1
O 0.120717 -0.901623 -1.851828
O -4.738179 1.999108 1.780884
O -6.686165 -0.946683 -0.668787
O -7.014587 0.639318 1.011956
N 4.204071 -0.131640 -0.474935
N -0.518999 0.706262 -0.258232
C 2.812822 -0.623834 -0.518327
C 1.856346 0.533692 -0.895660
C 5.190081 -1.109164 0.041533
C 6.590400 -0.511615 0.131458
C 0.417818 0.038503 -1.058867
C -1.921973 0.502854 -0.171856
C 7.728288 -1.300222 -0.171008
C 6.778339 0.832932 0.542923
C -2.641938 1.320276 0.735092
C -2.618589 -0.466630 -0.943950
C -4.759542 0.218878 0.116732
C -4.041273 1.186666 0.884871
C -4.007920 -0.584655 -0.784409
C 9.030949 -0.762769 -0.054378
C 8.078456 1.373745 0.654487
C 9.210185 0.577407 0.358929
C -6.231454 0.037386 0.239970
C -8.144939 -1.247750 -0.624545
C -8.452078 -2.305881 0.440171
H 2.554911 -1.005121 0.489382
H 2.650374 -1.461907 -1.234842
H 1.951902 1.340767 -0.145945
H 2.174699 0.951216 -1.871611
H 5.231983 -2.049267 -0.561760
H 4.848576 -1.409212 1.054507
H 4.502782 0.252040 -1.383386
H -0.139316 1.439677 0.344787
H 7.595478 -2.338410 -0.500968
H 5.894201 1.440689 0.763393
H -2.109270 2.072333 1.335223
H -2.069564 -1.099355 -1.641217
H -4.555566 -1.324485 -1.372625
H 9.901371 -1.385054 -0.291684
H 8.210738 2.414320 0.972973
H 10.218741 0.997209 0.445937
H -8.367491 -1.609095 -1.641874
H -8.694006 -0.310852 -0.423935
H -4.117898 2.621859 2.239415
H -7.857925 -3.220434 0.269504
H -8.231045 -1.918395 1.448703
H -9.523914 -2.576581 0.400994


