%chk=000041319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041319

0 1
 O    2.912600     -0.3991000     -0.3720000    
 O    4.226700      0.9844000      0.9064000    
 O   -6.758900      -1.207700      -1.115200    
 N    5.123400     -0.8014000     -0.2741000    
 N    6.423900     -0.5516000      0.1490000    
 C   0.4676000     -0.1189000     -0.6918000    
 C  -0.4505000       1.116000     -0.4992000    
 C   -1.102600       1.219500      0.9117000    
 C   -1.743000     -0.1088000       1.382900    
 C    1.770500      0.3570000     -1.0500000E-02
 C  -9.9100001E-02  -1.406400     -6.7400001E-02
 C   0.4985000       2.304200     -0.7650000    
 C  -0.6789000      -1.218000       1.329400    
 C    1.908800       1.828100     -0.4043000    
 C   -2.161000       2.329700       1.009400    
 C   0.6892000     -0.4013000      -2.198100    
 C   -3.069300     -0.4040000      0.6867000    
 C   -3.358200       2.070600      0.1020000    
 C   -3.832100      0.6387000      0.1178000    
 C   -3.609300      -1.702700      0.6745000    
 C   -5.064900      0.3522000     -0.4953000    
 C    4.103400      1.9200001E-02  0.1585000    
 C   -4.838800      -1.972600      6.9899999E-02
 C   -5.564100     -0.9466000     -0.5210000    
 C    7.282600     -0.2926000      -1.005100    
 C    6.923700      -1.687700      0.9208000    
 H   -1.237000       1.104900      -1.261600    
 H  -0.3131000       1.473400       1.633300    
 H   -2.008300      1.3900000E-02   2.443900    
 H    1.663800      0.2965000       1.079500    
 H   0.6831000      -2.175100     -2.6799999E-02
 H  -0.8875000      -1.811300     -0.7150000    
 H   0.2344000       3.210000     -0.2124000    
 H   0.4689000       2.569400      -1.828900    
 H   -1.072200      -2.173300       1.691700    
 H   0.1293000     -0.9664000       2.027300    
 H    2.590500       1.973500      -1.250200    
 H    2.294000       2.426800      0.4283000    
 H   -1.735500       3.312400      0.7811000    
 H   -2.509900       2.389100       2.049600    
 H    1.334300      -1.275400      -2.343300    
 H  -0.2630000     -0.6065000      -2.700800    
 H    1.158800      0.4395000      -2.718100    
 H   -3.105100       2.341300     -0.9302000    
 H   -4.177500       2.730300      0.4140000    
 H   -3.087800      -2.532600       1.141400    
 H   -5.635100       1.159400     -0.9509000    
 H   -5.224100      -2.988800      6.9300003E-02
 H    4.948800      -1.585900     -0.8945000    
 H   -7.122800     -0.3789000      -1.471000    
 H    6.918900      0.5761000      -1.566100    
 H    7.327600      -1.147400      -1.690300    
 H    8.301900     -5.5100001E-02 -0.6809000    
 H    6.950100      -2.611700      0.3310000    
 H    6.292300      -1.861600       1.799800    
 H    7.934300      -1.485700       1.292800    


%chk=000041319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041319

0 1
O 2.972132 -0.049891 -0.635228
O 4.099677 0.527228 1.364324
O -6.655242 -1.737946 -0.836513
N 5.075060 -0.803108 -0.342599
N 6.315330 -1.014281 0.294313
C 0.490285 0.116803 -0.797773
C -0.515391 1.305149 -0.590309
C -1.108117 1.399442 0.851362
C -1.607779 0.033730 1.405784
C 1.785975 0.724090 -0.189988
C 0.055438 -1.199893 -0.104140
C 0.334238 2.577983 -0.934885
C -0.455633 -1.002111 1.337304
C 1.827663 2.197842 -0.662552
C -2.266980 2.424588 0.942756
C 0.674924 -0.158007 -2.313548
C -2.925884 -0.414587 0.747199
C -3.468131 2.015137 0.063243
C -3.816866 0.532212 0.162713
C -3.331317 -1.776485 0.777928
C -5.058836 0.098981 -0.366752
C 4.073670 -0.049859 0.255078
C -4.561817 -2.211374 0.252425
C -5.431459 -1.260796 -0.325490
C 7.438213 -0.398284 -0.443827
C 6.519610 -2.428365 0.674494
H -1.350548 1.182393 -1.305446
H -0.298570 1.742614 1.531161
H -1.832129 0.198929 2.483523
H 1.767928 0.676085 0.913683
H 0.912045 -1.903058 -0.113449
H -0.746431 -1.668480 -0.708402
H 0.019690 3.444145 -0.325659
H 0.195589 2.867144 -1.992209
H -0.763516 -1.975384 1.763080
H 0.365662 -0.639919 1.987543
H 2.433357 2.265449 -1.584389
H 2.304452 2.845192 0.092392
H -1.927895 3.437882 0.654935
H -2.590110 2.486049 2.001236
H 1.409675 -0.966110 -2.475098
H -0.288304 -0.470858 -2.758064
H 1.031058 0.732192 -2.862062
H -3.252094 2.259469 -0.997462
H -4.352926 2.623819 0.334177
H -2.671532 -2.525646 1.228048
H -5.737630 0.841530 -0.811686
H -4.861236 -3.263037 0.282957
H 4.874040 -1.213776 -1.266111
H -7.187826 -0.995132 -1.215092
H 7.224963 0.671550 -0.597457
H 7.631235 -0.873664 -1.437386
H 8.353875 -0.487439 0.166148
H 6.609621 -3.115702 -0.202820
H 5.675376 -2.759221 1.300261
H 7.445720 -2.504216 1.270329


