%chk=000001029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001029

0 1
 O   -2.442100      -1.799000     -3.0200001E-02
 O    2.364700       1.577000     -0.9767000    
 O    2.280100       1.059900       1.231100    
 N    2.751700      -1.594100      7.4199997E-02
 N   -3.069100       1.860200      0.1521000    
 C  -0.7451000     -0.1106000     -0.3253000    
 C   0.3618000      -1.070800      0.1255000    
 C   -2.119300     -0.4409000      0.2747000    
 C    1.740400     -0.6584000     -0.4117000    
 C   -3.281400      0.4534000     -0.1743000    
 C    2.158300      0.7232000      6.0600001E-02
 H  -0.8109000     -0.1518000      -1.420000    
 H  -0.4765000      0.9161000     -5.5700000E-02
 H   0.3811000      -1.094000       1.223200    
 H   0.1283000      -2.088100     -0.2127000    
 H   -2.041000     -0.3834000       1.367500    
 H    1.729600     -0.6820000      -1.507600    
 H   -4.207100      0.1082000      0.3011000    
 H   -3.437900      0.3476000      -1.254400    
 H    3.649900      -1.384000     -0.3601000    
 H    2.511700      -2.540900     -0.2177000    
 H   -2.509500      -1.876600     -0.9973000    
 H   -3.875900       2.401500     -0.1562000    
 H   -2.273500       2.220000     -0.3730000    
 H    2.622500       2.471500     -0.6675000    


%chk=000001029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001029

0 1
O -2.517077 -1.837665 -0.386719
O 2.161115 1.521015 -1.191558
O 2.631512 0.990221 1.020909
N 2.696530 -1.817782 -0.040316
N -3.026585 1.842004 0.354903
C -0.748665 -0.075586 -0.342508
C 0.349857 -1.050711 0.131183
C -2.151530 -0.499785 0.134553
C 1.746744 -0.784855 -0.486315
C -3.255387 0.518622 -0.244365
C 2.218475 0.630706 -0.104983
H -0.745246 -0.010399 -1.453063
H -0.549061 0.942974 0.043868
H 0.434059 -1.005182 1.236106
H 0.072186 -2.086027 -0.135393
H -2.152016 -0.633345 1.230040
H 1.666538 -0.826605 -1.586501
H -4.213296 0.116950 0.131700
H -3.336124 0.546586 -1.360576
H 3.594064 -1.806957 -0.536521
H 2.826002 -1.826610 0.978189
H -2.547578 -1.785522 -1.377589
H -3.856913 2.326065 0.696818
H -2.380932 2.455007 -0.145066
H 2.474127 2.420884 -0.897195


