%chk=000158001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158001

0 1
 O   -3.209100      -1.774700      0.8874000    
 O    3.753300      -1.284000      4.2500000E-02
 O    3.385100      0.8769000      0.1620000    
 N    2.973500     -0.3029000      6.3699998E-02
 C   -2.663500      -1.139100     -0.2605000    
 C  -0.6968000      0.1746000     -0.1048000    
 C   -3.057200      0.3656000     -0.2647000    
 C   -1.163300      -1.109600     -0.2084000    
 C   -1.737300       1.065800     -0.1077000    
 C   0.6512000      0.5266000     -7.6000001E-03
 C  -0.2560000      -2.155700     -0.2271000    
 C   -1.466400       2.419600     -6.8999999E-03
 C    1.572900     -0.5365000     -2.7300000E-02
 C   0.9271000       1.902500      9.8300003E-02
 C    1.115200      -1.864100     -0.1379000    
 C  -0.1286000       2.835000      9.9100001E-02
 H   -3.023200      -1.647100      -1.161600    
 H   -3.743900      0.6223000      0.5481000    
 H   -3.501700      0.6400000      -1.227600    
 H  -0.5922000      -3.184600     -0.3046000    
 H   -2.267000       3.151900     -1.3500000E-02
 H    1.905600       2.351100      0.1837000    
 H    1.803900      -2.706200     -0.1547000    
 H   9.4800003E-02   3.896100      0.1794000    
 H   -4.177100      -1.706100      0.8248000    


%chk=000158001-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158001

0 1
O -3.283560 -2.013032 0.688882
O 3.788475 -1.435026 0.101455
O 3.534884 0.824083 0.114288
N 3.047125 -0.374701 0.078633
C -2.700608 -1.100229 -0.313330
C -0.708151 0.226518 -0.102160
C -3.105813 0.408258 -0.120988
C -1.186055 -1.109551 -0.170376
C -1.783325 1.168011 -0.103953
C 0.676877 0.590676 -0.024673
C -0.281772 -2.173099 -0.128649
C -1.485925 2.528084 -0.059283
C 1.577390 -0.539884 0.002864
C 0.953712 2.000632 0.017959
C 1.105887 -1.868905 -0.037750
C -0.106545 2.921559 -0.005922
H -2.981195 -1.447462 -1.330983
H -3.621136 0.507538 0.853267
H -3.795047 0.769245 -0.905664
H -0.619789 -3.212484 -0.153999
H -2.270809 3.292073 -0.055056
H 1.986159 2.345300 0.069337
H 1.849652 -2.669381 -0.003527
H 0.129597 3.991190 0.027091
H -4.220729 -2.212015 0.436636


