%chk=000099806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099806

0 1
 O   -2.098100     -0.9764000      0.9259000    
 O    2.254900      0.7756000      0.9992000    
 O   -2.479300      8.9199997E-02  -1.105200    
 N   -3.812300      0.5368000      0.7401000    
 N    2.569500      -1.227700     -0.1800000    
 C    4.467600      0.2190000      0.2069000    
 C   -4.692400       1.503100      0.1252000    
 C    4.817500       1.716400      0.1594000    
 C    4.109200       2.443800     -0.9880000    
 C    5.213800     -0.4602000       1.357400    
 C    2.964100     -2.1199999E-02  0.3916000    
 C   -5.423900      0.8461000      -1.050800    
 C   -3.861600       2.688400     -0.3777000    
 C   -5.714700       1.987700       1.159800    
 C    4.455700       3.924700      -1.003000    
 C    1.268600      -1.784300     -0.2092000    
 C   -2.780500     -8.9100003E-02  7.1400002E-02
 C   0.2228000      -1.094000      0.3807000    
 C   -1.059400      -1.642400      0.3509000    
 C    1.069000      -3.007100     -0.8281000    
 C   -1.277400      -2.873100     -0.2683000    
 C  -0.2132000      -3.555400     -0.8579000    
 H    4.788700     -0.2371000     -0.7384000    
 H    5.902600       1.832200      4.5600001E-02
 H    4.545500       2.193600       1.109700    
 H    3.022100       2.345800     -0.9073000    
 H    4.403000       1.995800      -1.944400    
 H    6.296000     -0.3334000       1.249700    
 H    5.001800      -1.534600       1.383000    
 H    4.914300     -4.3499999E-02   2.325500    
 H   -5.949500     -6.1400000E-02 -0.7310000    
 H   -6.169900       1.528700      -1.474900    
 H   -4.753500      0.5643000      -1.868300    
 H   -3.182400       2.421400      -1.192900    
 H   -3.253600       3.114900      0.4290000    
 H   -4.512200       3.485000     -0.7575000    
 H   -5.217400       2.453300       2.018700    
 H   -6.401300       2.724900      0.7290000    
 H   -6.314000       1.154100       1.544100    
 H   -3.952100      0.2967000       1.717300    
 H    5.533300       4.074300      -1.124000    
 H    4.142900       4.410100     -7.2999999E-02
 H    3.948400       4.424200      -1.834300    
 H    3.286700      -1.789900     -0.6330000    
 H   0.3165000     -0.1385000      0.8752000    
 H    1.890800      -3.546800      -1.290400    
 H   -2.273700      -3.306000     -0.2947000    
 H  -0.3831000      -4.513600      -1.340100    


%chk=000099806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099806

0 1
O -1.952976 0.100131 -0.046044
O 2.505979 0.803160 1.377875
O -3.834413 -0.556902 -1.372791
N -3.974077 0.960782 0.424721
N 2.790588 -0.873235 -0.242327
C 4.782779 -0.005937 0.944483
C -5.437258 1.271538 0.380398
C 5.388197 1.365441 0.528398
C 5.245246 1.688044 -0.975867
C 5.076344 -0.318935 2.432514
C 3.258142 0.019386 0.723807
C -6.258180 -0.026664 0.596355
C -5.795272 1.920833 -0.982098
C -5.699020 2.267999 1.534777
C 5.877238 3.046170 -1.349950
C 1.457403 -1.094617 -0.694350
C -3.332487 0.104316 -0.430413
C 0.346503 -0.392151 -0.171105
C -0.941152 -0.670936 -0.679752
C 1.264444 -2.065626 -1.715949
C -1.159664 -1.630856 -1.695444
C -0.032078 -2.318996 -2.199875
H 5.240988 -0.796567 0.311575
H 6.461595 1.372329 0.807224
H 4.892373 2.154378 1.127505
H 4.172231 1.694780 -1.251994
H 5.720553 0.882103 -1.573547
H 6.164396 -0.292274 2.624179
H 4.697218 -1.315678 2.722647
H 4.585929 0.432764 3.075239
H -6.013062 -0.484811 1.571515
H -7.338489 0.204783 0.580097
H -6.043079 -0.756955 -0.201074
H -5.563172 1.231510 -1.810854
H -5.225973 2.856328 -1.129956
H -6.873822 2.158963 -1.014422
H -5.112541 3.196657 1.402480
H -6.767212 2.542725 1.556825
H -5.442750 1.821230 2.513773
H -3.393637 1.415648 1.131852
H 6.957525 3.062450 -1.110673
H 5.397052 3.870188 -0.789953
H 5.765844 3.260522 -2.428532
H 3.505106 -1.441907 -0.702461
H 0.482895 0.353893 0.612651
H 2.122717 -2.613105 -2.125237
H -2.162567 -1.822036 -2.075900
H -0.176607 -3.066464 -2.987423


