%chk=000046796.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046796

1 1
 O   -1.564400      0.1763000      0.5546000    
 O   -2.284900     -0.5701000      -1.543900    
 N   0.4676000       2.068700      7.3500000E-02
 C   0.7474000      0.5639000      8.7600000E-02
 C    1.771700       2.807500     -0.2136000    
 C  -9.9600002E-02   2.475500       1.430600    
 C  -0.5460000       2.457500      -1.000800    
 C  -0.2946000     -0.2678000      0.3278000    
 C    2.030200      0.1895000     -0.1447000    
 C  -2.3499999E-02  -1.636000      0.3372000    
 C    2.301200      -1.178900     -0.1351000    
 C    1.274400      -2.091500      0.1059000    
 C   -1.109000      -2.628500      0.5944000    
 C    3.689400      -1.665600     -0.3812000    
 C   -2.507300     -0.2928000     -0.3727000    
 C   -3.852800     -0.4078000      0.2803000    
 H    2.134600       2.560400      -1.217400    
 H    1.544200       3.880500     -0.2039000    
 H    2.491000       2.629700      0.5934000    
 H   0.5345000       2.054600       2.217700    
 H  -6.6000000E-02   3.569100       1.487300    
 H   -1.138500       2.164300       1.546900    
 H   -1.557600       2.181500     -0.7037000    
 H  -0.5141000       3.545800      -1.120100    
 H  -0.2605000       1.973500      -1.939900    
 H    2.881900      0.8240000     -0.3419000    
 H    1.485600      -3.158300      0.1101000    
 H   -1.778800      -2.299100       1.394500    
 H   -1.676700      -2.843200     -0.3152000    
 H  -0.6864000      -3.579700      0.9401000    
 H    3.786700      -2.737900     -0.1807000    
 H    3.970900      -1.489800      -1.424500    
 H    4.398800      -1.146800      0.2723000    
 H   -3.768700     -0.9333000       1.234500    
 H   -4.520600     -0.9831000     -0.3670000    
 H   -4.270700      0.5902000      0.4321000    


%chk=000046796-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046796

1 1
O -1.595929 0.046139 0.565189
O -2.439343 -0.801633 -1.462878
N 0.445089 2.066847 0.074163
C 0.766556 0.570404 0.062925
C 1.687673 2.938656 -0.123135
C -0.166602 2.463638 1.430889
C -0.521331 2.406972 -1.072567
C -0.263768 -0.386157 0.273432
C 2.093307 0.141128 -0.148445
C 0.040802 -1.773992 0.303113
C 2.417165 -1.237192 -0.153720
C 1.380031 -2.168561 0.084168
C -1.029225 -2.809957 0.575501
C 3.837936 -1.701476 -0.404975
C -2.675045 -0.334496 -0.342555
C -4.001152 -0.056507 0.308854
H 2.134117 2.735965 -1.106969
H 1.364692 3.989603 -0.076888
H 2.411191 2.742478 0.680510
H 0.577230 2.256924 2.214702
H -0.406231 3.538174 1.403213
H -1.070346 1.866135 1.601602
H -1.467412 1.879141 -0.917582
H -0.691025 3.494988 -1.076313
H -0.064161 2.083569 -2.018993
H 2.903667 0.852957 -0.315284
H 1.618165 -3.238102 0.105686
H -1.731005 -2.478772 1.361270
H -1.617988 -3.017360 -0.337120
H -0.575961 -3.758934 0.903262
H 4.156640 -2.442333 0.349344
H 3.923353 -2.190768 -1.393167
H 4.557820 -0.866559 -0.383836
H -4.235584 -0.867257 1.023351
H -4.792436 -0.026024 -0.454081
H -3.981492 0.884659 0.881832


