%chk=000050689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050689

0 1
 O   -1.177600     -0.6590000      6.1999999E-02
 O   -2.440400      -2.557000     -0.2578000    
 N    2.451400      -1.246300      0.1997000    
 N   -6.791700       2.128800      0.1242000    
 C    3.591900     -0.3582000      0.4220000    
 C    6.160900      0.8322000     -0.4608000    
 C    3.638500      0.7096000     -0.6757000    
 C    4.897600      -1.159700      0.4665000    
 C    4.849400       1.627400     -0.5091000    
 C    6.108900     -0.2427000      0.6331000    
 C    7.350100       1.766100     -0.2429000    
 C    1.204200     -0.4976000      0.2132000    
 C   1.7100001E-02  -1.428700      2.5200000E-02
 C   -2.340000      -1.351200     -9.2799999E-02
 C   -3.508500     -0.4368000     -3.7000000E-02
 C   -4.643000     -0.7598000     -0.7529000    
 C   -3.424300      0.7073000      0.7301000    
 C   -5.741200      9.8700002E-02 -0.6995000    
 C   -4.522500       1.565600      0.7836000    
 C   -5.680900       1.261300      6.8800002E-02
 H    3.473300      0.1382000       1.395300    
 H    6.297600      0.3328000      -1.429300    
 H    2.765000       1.368100     -0.6541000    
 H    3.672700      0.2405000      -1.667600    
 H    5.013600      -1.743900     -0.4559000    
 H    4.872800      -1.877500       1.295700    
 H    4.877900       2.342700      -1.339900    
 H    4.734600       2.214500      0.4113000    
 H    6.069100      0.2316000       1.622100    
 H    7.024100     -0.8462000      0.6074000    
 H    8.289900       1.203900     -0.2415000    
 H    7.408000       2.513400      -1.041200    
 H    7.271000       2.296300      0.7123000    
 H    2.431300      -1.964100      0.9236000    
 H    1.138400      0.2279000     -0.6030000    
 H    1.082100      5.8499999E-02   1.151200    
 H  -1.0300000E-02  -2.175200      0.8287000    
 H   8.8299997E-02  -1.945400     -0.9399000    
 H   -4.700900      -1.660400      -1.357000    
 H   -2.539400      0.9598000       1.306500    
 H   -6.638100     -0.1491000      -1.261400    
 H   -4.464600       2.467000       1.388500    
 H   -6.747500       2.972900      0.6794000    
 H   -7.631200       1.910000     -0.3956000    


%chk=000050689-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050689

0 1
O -1.262380 -0.426814 -0.211970
O -2.406668 -2.427421 -0.586853
N 2.426787 -0.943206 -0.075408
N -7.246312 1.802590 0.464041
C 3.639056 -0.162215 0.279604
C 6.478602 0.700598 -0.278786
C 3.968639 0.902599 -0.795610
C 4.832638 -1.132158 0.438459
C 5.273351 1.659989 -0.453827
C 6.140256 -0.382562 0.778041
C 7.766842 1.466931 0.087303
C 1.133495 -0.242700 0.074064
C 0.012074 -1.159291 -0.423490
C -2.436309 -1.194287 -0.331510
C -3.656446 -0.386184 -0.119665
C -4.920478 -1.033497 -0.190706
C -3.616945 1.009150 0.150632
C -6.109513 -0.317106 0.002039
C -4.800783 1.736454 0.343989
C -6.070371 1.085259 0.273188
H 3.504063 0.374231 1.256941
H 6.640274 0.183573 -1.250257
H 3.133925 1.623053 -0.896529
H 4.068440 0.382976 -1.769306
H 4.951636 -1.692544 -0.510940
H 4.607088 -1.877024 1.230219
H 5.495213 2.401407 -1.246675
H 5.135419 2.234209 0.487502
H 6.041798 0.106059 1.770814
H 6.977471 -1.103573 0.859604
H 8.628769 0.781000 0.190485
H 8.021082 2.217441 -0.684688
H 7.644667 2.001795 1.049403
H 2.416975 -1.839557 0.434206
H 1.146551 0.675323 -0.539800
H 0.912255 0.068654 1.124464
H -0.025722 -2.114782 0.133957
H 0.129298 -1.389664 -1.496838
H -4.942276 -2.108284 -0.400301
H -2.646561 1.510604 0.205279
H -7.076651 -0.831138 -0.055375
H -4.756303 2.812699 0.550889
H -7.223959 2.800077 0.656127
H -8.151383 1.343639 0.412786


