%chk=000068762.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068762

0 1
 O   -3.441700     -0.3324000      0.1243000    
 O   -3.131100      -2.717500      -1.264600    
 O    4.861900      -1.345300       1.103900    
 N  -3.5000001E-03  -1.065900     -0.1505000    
 N    2.695500     -0.1351000     -0.2428000    
 C   -4.054900      0.9378000      0.3565000    
 C   -5.063300       1.222700     -0.7684000    
 C   -4.760700      0.8791000       1.720100    
 C   -6.235800      0.2405000     -0.7581000    
 C   -5.936700     -9.9600002E-02   1.724500    
 C   -6.924500      0.2030000      0.6024000    
 C   -1.076600      -2.057300     -0.2159000    
 C   0.9308000      -1.389400      0.9349000    
 C   0.7176000      -1.002500      -1.427600    
 C   -2.104900      -1.721600      -1.298800    
 C    2.027000     -0.3278000       1.050300    
 C    1.807800      7.1500003E-02  -1.391200    
 C   -2.751600     -0.3505000      -1.114300    
 C   -3.006000       1.972100      0.3769000    
 C    3.974700      0.4320000     -0.2436000    
 C    5.054200     -0.1761000      0.4303000    
 C    4.220300       1.640400     -0.9269000    
 C   -2.151000       2.814600      0.3937000    
 C    6.324500      0.4003000      0.4207000    
 C    5.490500       2.216600     -0.9363000    
 C    6.542600       1.596600     -0.2625000    
 C    5.994800      -1.906400       1.763300    
 H   -5.479300       2.229500     -0.6097000    
 H   -4.626900       1.276100      -1.769900    
 H   -4.052700      0.5685000       2.499700    
 H   -5.126600       1.875800       2.000900    
 H   -5.883700     -0.7639000      -1.021900    
 H   -6.962800      0.5326000      -1.524600    
 H   -5.564200      -1.125600       1.617300    
 H   -6.451300     -4.9300000E-02   2.690800    
 H   -7.716500     -0.5543000      0.5940000    
 H   -7.408500       1.168700      0.7935000    
 H   -1.590100      -2.118200      0.7530000    
 H  -0.6797000      -3.065700     -0.3985000    
 H    1.389600      -2.374200      0.7733000    
 H   0.3940000      -1.431200       1.890500    
 H   6.3100003E-02 -0.7249000      -2.258400    
 H    1.166400      -1.975200      -1.670000    
 H   -1.665900      -1.795300      -2.298100    
 H    1.585700      0.6274000       1.365100    
 H    2.713600     -0.6293000       1.846800    
 H    2.371700      1.6400000E-02  -2.330800    
 H    1.344300       1.064700      -1.330500    
 H   -3.447600     -0.2511000      -1.950500    
 H   -1.986300      0.4259000      -1.195700    
 H   -3.768000      -2.509800      -1.969500    
 H    3.423800       2.161400      -1.452400    
 H   -1.391200       3.560600      0.4079000    
 H    7.189200     -2.2100000E-02  0.9207000    
 H    5.660100       3.149800      -1.465500    
 H    7.531000       2.046900     -0.2699000    
 H    5.660400      -2.830700       2.245900    
 H    6.779200      -2.186600       1.052000    
 H    6.365600      -1.250600       2.558500    


%chk=000068762-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068762

0 1
O -3.619542 -0.556652 -0.061926
O -3.252156 -2.582234 -1.862738
O 4.462422 -0.527270 1.652148
N 0.077357 -1.158791 -0.746944
N 2.816625 -0.237316 -0.597222
C -4.022825 0.590111 0.803614
C -4.890542 1.615361 0.011687
C -4.850954 -0.064091 1.944688
C -6.198214 0.978847 -0.509135
C -6.170003 -0.679865 1.425918
C -7.015242 0.354680 0.646535
C -1.101114 -2.056146 -0.743206
C 0.775162 -1.067231 0.558854
C 1.049307 -1.464867 -1.821156
C -2.201500 -1.561017 -1.715048
C 1.856929 0.022283 0.508195
C 2.138599 -0.379618 -1.901173
C -2.813643 -0.228273 -1.258341
C -2.813165 1.249181 1.348555
C 4.098207 0.370245 -0.567530
C 4.967502 0.231871 0.572954
C 4.614651 1.083259 -1.686211
C -1.799972 1.791165 1.795173
C 6.257830 0.802979 0.575181
C 5.915713 1.634474 -1.690113
C 6.740421 1.503967 -0.556166
C 5.357690 -0.780787 2.781003
H -5.124838 2.455292 0.694841
H -4.296819 2.039722 -0.818951
H -4.223003 -0.830925 2.433128
H -5.067587 0.717061 2.698661
H -5.955826 0.191385 -1.249325
H -6.796520 1.747499 -1.034867
H -5.934745 -1.532864 0.761518
H -6.745787 -1.081218 2.281918
H -7.929973 -0.125117 0.249475
H -7.345111 1.158976 1.337052
H -1.530942 -2.075424 0.275580
H -0.845010 -3.105299 -1.019321
H 1.255257 -2.037032 0.841822
H 0.034249 -0.802307 1.334925
H 0.521818 -1.512142 -2.791803
H 1.542270 -2.455697 -1.651660
H -1.781914 -1.435719 -2.729644
H 1.359924 1.008676 0.350402
H 2.407392 0.044228 1.459454
H 2.880649 -0.678924 -2.662563
H 1.667370 0.578736 -2.226732
H -3.469864 0.187637 -2.047956
H -2.003763 0.483112 -1.007267
H -3.835978 -2.494927 -1.063102
H 3.978889 1.225601 -2.564923
H -0.920848 2.270407 2.185089
H 6.906227 0.687465 1.449016
H 6.270755 2.174665 -2.574567
H 7.747555 1.933512 -0.541992
H 4.779521 -1.417952 3.467011
H 6.271699 -1.315028 2.456182
H 5.641709 0.158433 3.295300


