%chk=000125151.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125151

0 1
 O  -0.7484000     -0.3842000       2.869300    
 O    2.405400      -2.319200     -0.9901000    
 O    1.552500       2.964700      0.3228000    
 O   -5.577800      0.3736000      -1.112800    
 N   -2.175500     -0.8947000     -0.5293000    
 C   -1.429500      -1.205000      0.6930000    
 C   -1.338500      8.6000003E-03   1.627500    
 C  -2.8000001E-02  -1.732300      0.3472000    
 C  -0.5029000       1.149200       1.038300    
 C   0.9687000     -0.6550000     -5.1000002E-03
 C   0.7619000      0.6895000      0.3516000    
 C    2.157400      -1.019400     -0.6567000    
 C    1.733300       1.646700      1.7600000E-02
 C   -3.498300     -0.3858000     -0.2070000    
 C    3.118300     -6.0100000E-02 -0.9742000    
 C    2.905100       1.273300     -0.6393000    
 C   -4.288900     -0.1045000      -1.474800    
 C    3.083900      -3.115900     -2.2500001E-02
 C   0.9013000       3.770400     -0.6557000    
 H   -1.949500      -2.021000       1.213900    
 H   -2.315500      0.3977000       1.923900    
 H  -0.1058000      -2.463600     -0.4677000    
 H   0.3618000      -2.271500       1.220200    
 H  -0.2422000       1.846800       1.843900    
 H   -1.110500       1.686400      0.3009000    
 H   -2.255000      -1.732400      -1.105000    
 H   -3.466100      0.5673000      0.3287000    
 H   -4.057100      -1.092200      0.4196000    
 H   -1.298400      -1.093100       3.244100    
 H    4.035400     -0.3461000      -1.482200    
 H    3.655600       2.017300     -0.8924000    
 H   -4.414800      -1.014100      -2.071600    
 H   -3.795100      0.6570000      -2.088000    
 H    3.104600      -4.148000     -0.3830000    
 H    2.571000      -3.094300      0.9435000    
 H    4.114800      -2.767700      9.6500002E-02
 H  -3.9500002E-02   3.320800     -0.9867000    
 H    1.561500       3.921800      -1.515500    
 H   0.6841000       4.744100     -0.2080000    
 H   -6.060600      0.5453000      -1.939100    


%chk=000125151-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125151

0 1
O -0.795989 -0.180434 3.092140
O 2.104852 -2.351390 -1.119332
O 1.132132 3.075280 0.055942
O -5.814360 -0.561603 -1.381642
N -2.257802 -0.870022 -0.326022
C -1.523162 -1.152972 0.925774
C -1.438341 0.132882 1.792789
C -0.097778 -1.665782 0.640028
C -0.609707 1.240341 1.130419
C 0.804925 -0.603448 0.036124
C 0.574042 0.766416 0.305071
C 1.900380 -0.976517 -0.791016
C 1.449559 1.737277 -0.261434
C -3.726556 -0.997388 -0.269062
C 2.754818 -0.009783 -1.348340
C 2.535826 1.360571 -1.083276
C -4.362434 -0.346826 -1.502578
C 2.962134 -3.070996 -0.161866
C 2.008306 4.119260 -0.473667
H -2.048855 -1.939146 1.527326
H -2.462973 0.519446 1.979672
H -0.124221 -2.552554 -0.020797
H 0.331411 -1.995856 1.607153
H -0.268310 1.934835 1.919667
H -1.273599 1.830054 0.471187
H -1.845877 -1.348166 -1.136024
H -4.099489 -0.473358 0.629910
H -4.082863 -2.053008 -0.198148
H -1.345117 -0.863547 3.556461
H 3.574363 -0.333409 -1.998260
H 3.201545 2.108502 -1.522815
H -3.968136 -0.821171 -2.429052
H -4.105098 0.731776 -1.523903
H 3.052719 -4.098464 -0.548359
H 2.510339 -3.089818 0.850111
H 3.964434 -2.602728 -0.100131
H 2.003770 4.128143 -1.581558
H 3.047759 3.997103 -0.110417
H 1.592497 5.064796 -0.094728
H -6.276442 -0.127897 -2.141547


