%chk=000049857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049857

0 1
 O   -1.849400      -2.061400      0.8250000    
 O    1.646500      -2.133800      0.7711000    
 N   2.8600000E-02  0.7793000      0.7452000    
 N   -2.857600     -0.2099000     -0.1620000    
 N    2.880100     -0.3833000     -0.1352000    
 C   -1.091100       1.392100      0.3167000    
 C    1.195100       1.324400      0.3332000    
 C   -2.392400      0.7898000      0.7719000    
 C    2.445800      0.6569000      0.7993000    
 C   -1.120000       2.508900     -0.4930000    
 C    1.284200       2.442900     -0.4798000    
 C   0.1000000       3.040700     -0.8962000    
 C   -2.543200      -1.553500     -5.2000001E-02
 C    2.434500      -1.680500     -5.4800000E-02
 C   -3.177400      -2.378100      -1.140000    
 C    3.016400      -2.534400      -1.149300    
 H   -3.170900       1.555100      0.8624000    
 H   -2.264000      0.3324000       1.759700    
 H    3.267600       1.374200      0.8997000    
 H    2.283900      0.2019000       1.783400    
 H   -2.049900       2.965700     -0.8133000    
 H    2.240500       2.849500     -0.7908000    
 H   0.1275000       3.918500      -1.534700    
 H   -3.434700      0.1017000     -0.9380000    
 H    3.516700     -0.1138000     -0.8798000    
 H   -2.984000      -1.927900      -2.117900    
 H   -4.256200      -2.436600     -0.9721000    
 H   -2.756300      -3.387200      -1.130200    
 H    2.767900      -3.583900     -0.9688000    
 H    2.600300      -2.228700      -2.113400    
 H    4.105200      -2.431600      -1.172000    


%chk=000049857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049857

0 1
O -4.478258 -0.930403 -0.727522
O 4.387620 -1.400466 -0.250763
N 0.041558 0.902819 -0.049630
N -2.227722 -0.506878 -0.388233
N 2.185154 -0.695659 -0.355683
C -1.106688 1.643014 0.018051
C 1.245473 1.513488 0.170705
C -2.427472 0.931013 -0.238416
C 2.501713 0.657384 0.089956
C -1.086723 3.026135 0.311199
C 1.339431 2.892826 0.467034
C 0.155084 3.656905 0.538145
C -3.285560 -1.359561 -0.629474
C 3.166728 -1.654937 -0.498000
C -2.928607 -2.836888 -0.771809
C 2.691613 -3.028511 -0.964459
H -2.911464 1.345233 -1.146871
H -3.135697 1.134168 0.589686
H 3.235688 1.124677 -0.596867
H 3.004069 0.625075 1.078719
H -2.024678 3.588453 0.360095
H 2.319346 3.350735 0.635849
H 0.199117 4.726509 0.766720
H -1.257739 -0.826574 -0.317110
H 1.193896 -0.878352 -0.535144
H -1.854961 -3.046027 -0.621099
H -3.223365 -3.185419 -1.776885
H -3.512148 -3.420849 -0.039752
H 3.242095 -3.308551 -1.878812
H 2.938076 -3.778160 -0.192604
H 1.608120 -3.071799 -1.172725


