%chk=000148121.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148121

0 1
 O   -2.454900      -2.879800       1.693800    
 O   -6.093600      -1.989700      -1.679000    
 O   -4.055500      -1.741400      -2.646100    
 O   -4.768400       3.241600      0.1786000    
 O   -5.671000       1.943500       1.805700    
 N   -2.795700      -1.699400     -0.2733000    
 N    2.678600       1.138000      0.7827000    
 N    3.861500       2.454800      -1.344400    
 N    2.282400       4.142000      -1.197300    
 N   0.5535000       4.071400      0.4630000    
 N   0.4568000       2.256000       1.971900    
 N   0.6832000       5.853400      -1.050400    
 C    3.692100      -1.918800     -2.8500000E-02
 C    4.316300     -0.6753000      0.6796000    
 C    2.216200      -2.017400      0.1600000    
 C    4.467200      -3.180000      0.4587000    
 C    3.761700      0.6351000      0.1704000    
 C    1.367200      -1.976200     -0.9458000    
 C    1.685000      -2.152100       1.442800    
 C   -4.235500      -1.689000     -0.2178000    
 C  -0.5445000      -2.204200      0.5137000    
 C   -4.789700     -0.4862000      0.5554000    
 C  -1.3300000E-02  -2.069600     -0.7689000    
 C   0.3046000      -2.245600       1.619600    
 C   -2.014800      -2.303500      0.7025000    
 C   -4.471800      0.8928000     -3.6600001E-02
 C    4.345900       1.286400     -0.8811000    
 C    4.048200      -4.389600     -0.2694000    
 C    2.195500       2.306300      0.3181000    
 C   -4.749800      -1.791800      -1.639000    
 C    2.781900       2.981800     -0.7543000    
 C   -5.029800       2.046000      0.7692000    
 C    1.085100       2.907800      0.8790000    
 C    3.709300      -5.376500     -0.8632000    
 C    1.195900       4.629300     -0.5695000    
 H    3.902200      -1.812100      -1.103500    
 H    4.156500     -0.7242000       1.764300    
 H    5.405100     -0.6742000      0.5380000    
 H    5.542500      -3.030600      0.3005000    
 H    4.325800      -3.332700       1.535200    
 H    1.765100      -1.878000      -1.952300    
 H    2.327200      -2.186000       2.318400    
 H   -4.548800      -2.607800      0.2945000    
 H   -4.408200     -0.5197000       1.584700    
 H   -5.880200     -0.5849000      0.6357000    
 H  -0.6362000      -2.064400      -1.658400    
 H  -9.0300001E-02  -2.345100       2.627200    
 H   -2.360400      -1.170600      -1.022000    
 H   -3.386000       1.027800     -9.4599999E-02
 H   -4.889700      0.9626000      -1.046900    
 H    5.219000      0.9040000      -1.395800    
 H    3.407900      -6.251400      -1.390200    
 H   -6.423400      -2.072300      -2.599200    
 H  -0.3613000       2.704000       2.365800    
 H   0.5314000       1.248000       2.034300    
 H   -5.143800       3.990800      0.6885000    
 H  -0.1318000       6.258000     -0.6107000    
 H    1.136600       6.310500      -1.829400    


%chk=000148121-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148121

0 1
O -2.540574 -2.605782 1.455680
O -6.091084 -0.965946 -1.744955
O -4.019931 -0.348717 -2.593631
O -2.868164 2.635953 0.027839
O -2.730083 1.439766 1.998854
N -2.734545 -1.103710 -0.296586
N 2.530655 1.022063 0.936722
N 3.509603 2.490267 -1.320898
N 1.391792 3.558274 -1.543781
N -0.400397 2.973142 0.017508
N -0.057627 1.521186 1.844811
N -0.781658 4.396782 -1.792260
C 3.896497 -1.790749 0.088670
C 4.428205 -0.525172 0.868985
C 2.372090 -1.905139 0.177354
C 4.653375 -3.053440 0.609514
C 3.736600 0.727894 0.389617
C 1.567601 -1.524473 -0.925535
C 1.716497 -2.314030 1.368082
C -4.200707 -1.153404 -0.259402
C -0.487303 -1.885095 0.367850
C -4.866451 -0.281004 0.856755
C 0.158515 -1.505352 -0.836398
C 0.311510 -2.314243 1.459199
C -1.983797 -1.898636 0.553702
C -4.768176 1.252863 0.671173
C 4.223774 1.519889 -0.708153
C 4.367551 -4.272173 -0.165464
C 1.785193 1.983624 0.318575
C -4.713740 -0.782580 -1.645364
C 2.219489 2.699953 -0.850889
C -3.366951 1.797742 0.939824
C 0.412150 2.173917 0.771586
C 4.141107 -5.291766 -0.820402
C 0.117043 3.631281 -1.099309
H 4.166854 -1.659276 -0.977492
H 4.233081 -0.659446 1.948595
H 5.522241 -0.454542 0.719963
H 5.742554 -2.849822 0.578137
H 4.402055 -3.226542 1.674459
H 2.049508 -1.234288 -1.867435
H 2.303525 -2.630121 2.238723
H -4.495479 -2.198376 -0.038476
H -4.394052 -0.567696 1.812070
H -5.931496 -0.571956 0.898425
H -0.422178 -1.224255 -1.723655
H -0.200290 -2.644583 2.369307
H -2.305458 -0.525929 -1.023428
H -5.095243 1.577392 -0.331745
H -5.448128 1.723704 1.407290
H 5.234843 1.348316 -1.097864
H 3.929940 -6.180555 -1.386323
H -6.397500 -0.707683 -2.656181
H -1.098011 1.525258 2.069430
H 0.593349 0.869215 2.292261
H -1.633270 2.872085 0.130897
H -1.768354 4.406250 -1.534888
H -0.457548 4.861462 -2.637143


