%chk=000020050.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020050

0 1
 O  -0.1091000      -2.300600     -0.6092000    
 O   -3.929900      -2.198800      0.7767000    
 O   -2.175200      -3.370500      0.1707000    
 O   -2.038300       3.649200     -7.1000002E-02
 O   -3.841700       2.600800      0.6126000    
 N   -2.753100      -2.272700      0.3510000    
 N   -2.662300       2.591100      0.1846000    
 C    2.354900      9.7199999E-02 -5.7200000E-02
 C    3.788500      4.3099999E-02 -0.5885000    
 C    1.338000      6.7100003E-02  -1.200200    
 C    4.806700      0.1073000      0.5510000    
 C  -7.8699999E-02  8.3899997E-02 -0.6858000    
 C    6.239400      8.7099999E-02  1.8600000E-02
 C  -0.7392000      -1.105800     -0.4131000    
 C  -0.7029000       1.308700     -0.4924000    
 C    7.253900      0.1850000       1.146600    
 C   -2.050000      -1.070400      6.2399998E-02
 C   -2.013700       1.344000     -1.7000001E-02
 C   -2.687300      0.1545000      0.2603000    
 H    2.217500       1.009600      0.5371000    
 H    2.187300     -0.7476000      0.6225000    
 H    3.934600     -0.8808000      -1.161200    
 H    3.955400      0.8807000      -1.276700    
 H    1.493800      0.9454000      -1.842000    
 H    1.510100     -0.7865000      -1.866600    
 H    4.653800     -0.7403000       1.230200    
 H    4.646200       1.022000       1.134700    
 H    6.413900     -0.8367000     -0.5450000    
 H    6.391800      0.9234000     -0.6737000    
 H  -0.1567000       2.222500     -0.7129000    
 H    8.271500      0.1674000      0.7438000    
 H    7.127200       1.115700       1.708800    
 H    7.149300     -0.6539000       1.842000    
 H   -3.709300      0.1854000      0.6310000    
 H   0.8541000      -2.189600     -0.6037000    


%chk=000020050-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020050

0 1
O 0.020760 -2.236209 -0.363350
O -3.574679 -2.232776 1.518479
O -2.404866 -3.411656 -0.048900
O -2.391226 3.667037 -0.436149
O -4.169379 2.507516 0.405509
N -2.698267 -2.324830 0.571840
N -2.964446 2.573978 -0.051263
C 2.384601 0.144570 -0.062057
C 3.839962 0.155240 -0.578840
C 1.342412 0.227364 -1.218185
C 4.883491 0.055462 0.556550
C -0.098946 0.191498 -0.735285
C 6.341675 0.074766 0.043343
C -0.688929 -1.049648 -0.328750
C -0.866166 1.364796 -0.646569
C 7.378647 -0.045134 1.180577
C -2.027062 -1.066347 0.160664
C -2.185000 1.320518 -0.141532
C -2.775603 0.117542 0.276429
H 2.226567 1.003591 0.618518
H 2.220590 -0.762995 0.555728
H 3.991267 -0.686095 -1.288225
H 4.015624 1.085260 -1.158083
H 1.512794 1.168064 -1.772160
H 1.539624 -0.583672 -1.953957
H 4.712777 -0.876939 1.134221
H 4.736075 0.893708 1.268825
H 6.485497 -0.755641 -0.677952
H 6.517031 1.012295 -0.522539
H -0.454115 2.328363 -0.960040
H 8.411685 -0.030178 0.788134
H 7.279014 0.789557 1.899845
H 7.244232 -0.988876 1.741873
H -3.791292 0.096262 0.679006
H 0.946152 -2.089490 -0.687305


