%chk=000021338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021338

1 1
 O    2.949400     -0.8363000      0.2071000    
 O    3.052300       1.552200     -9.0800002E-02
 O   0.5001000      -2.291900      0.3702000    
 N   -3.042700     -6.8000004E-02  6.5300003E-02
 C  -0.6732000     -0.1934000      9.9100001E-02
 C  -0.6162000       1.217200     -7.6700002E-02
 C   0.5112000     -0.9426000      0.2018000    
 C    1.713900     -0.2708000      0.1271000    
 C    1.772500       1.091100     -4.2800002E-02
 C   0.6316000       1.861100     -0.1477000    
 C   -1.926900     -0.8018000      0.1655000    
 C   -1.812400       1.936500     -0.1757000    
 C   -3.021300       1.259500     -0.1004000    
 C    3.792900      0.3251000      6.8400003E-02
 C   -4.335800     -0.7432000      0.1397000    
 C   0.5046000      -3.094800     -0.8100000    
 H   0.7057000       2.936300     -0.2815000    
 H   -2.066900      -1.868500      0.2967000    
 H   -1.811300       3.014500     -0.3118000    
 H   -3.972700       1.772200     -0.1776000    
 H    4.437600      0.1880000     -0.8074000    
 H    4.424100      0.4091000      0.9606000    
 H   -5.105400     -4.2900000E-02  0.4755000    
 H   -4.570900      -1.119400     -0.8595000    
 H   -4.272600      -1.566200      0.8573000    
 H    1.437600      -2.951200      -1.364000    
 H  -0.3507000      -2.856300      -1.449900    
 H   0.4345000      -4.143800     -0.5098000    


%chk=000021338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021338

1 1
O 2.852624 -0.933052 -0.310549
O 3.004614 1.450218 -0.205348
O 0.066765 -2.358329 -0.239766
N -3.245616 0.047835 0.050070
C -0.834394 -0.145358 -0.085685
C -0.703037 1.306828 -0.021412
C 0.332104 -1.007271 -0.188159
C 1.569048 -0.361066 -0.219497
C 1.669762 1.065250 -0.155837
C 0.578280 1.922161 -0.058152
C -2.121375 -0.720082 -0.046542
C -1.917867 2.063199 0.078961
C -3.152445 1.437828 0.113238
C 3.818662 0.204372 -0.306579
C -4.597798 -0.580466 0.095038
C 1.180509 -3.338668 -0.360060
H 0.702427 3.005605 -0.012223
H -2.246174 -1.803072 -0.092568
H -1.879829 3.154257 0.129773
H -4.094435 1.983090 0.189101
H 4.370331 0.214988 -1.259425
H 4.465102 0.127434 0.581357
H -5.089268 -0.337162 1.050997
H -5.209380 -0.205558 -0.741388
H -4.500792 -1.671925 0.007776
H 1.853719 -3.262255 0.508517
H 1.737575 -3.171131 -1.295665
H 0.679890 -4.315967 -0.377276


