%chk=000031599.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031599

0 1
 O   -2.525000      0.6532000     -0.2427000    
 O   -1.333200      -3.314900     -0.3691000    
 O    1.789200      0.1118000     -0.2538000    
 O  -0.6178000      0.9531000      0.9936000    
 O    4.818500       1.842900     -5.5500001E-02
 O    2.814800       2.468700     -0.7124000    
 N   3.9500002E-02  -3.104200     -0.3201000    
 N    3.597900       1.580900     -0.2646000    
 C   -2.879000       2.017700     -1.4400000E-02
 C   -1.775900       2.908200     -0.5846000    
 C   -4.202400       2.275900     -0.7315000    
 C   -3.031800       2.235600       1.490200    
 C   -1.049800      -1.175600      4.9699999E-02
 C   -1.350100      0.2322000      0.3236000    
 C   0.1802000      -1.800300     -6.5099999E-02
 C   -1.975200      -2.140100     -0.1437000    
 C    1.511500      -1.180200      6.3900001E-02
 C   -3.443700      -2.187100     -0.1610000    
 C    2.641600      -1.819000      0.5188000    
 C    3.679900     -0.8582000      0.4778000    
 C    3.110500      0.2996000      7.9999998E-04
 H   -1.463000       2.560000      -1.575900    
 H   -2.133700       3.939500     -0.6893000    
 H  -0.8765000       2.972300      3.3100002E-02
 H   -4.983400       1.603300     -0.3585000    
 H   -4.107900       2.074900      -1.804900    
 H   -4.542900       3.308200     -0.6011000    
 H   -2.089200       2.306900       2.038400    
 H   -3.560400       3.175600       1.688700    
 H   -3.609300       1.423200       1.946700    
 H   -3.832000      -1.734400      -1.078500    
 H   -3.809500      -3.217800     -0.1137000    
 H   -3.862100      -1.648200      0.6949000    
 H    2.722000      -2.847000      0.8446000    
 H    4.713000     -0.9989000      0.7627000    


%chk=000031599-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031599

0 1
O -2.469116 0.692797 -0.139424
O -1.333462 -3.388027 -0.396933
O 1.838219 -0.056194 -0.379957
O -0.482861 0.908646 1.107664
O 4.972092 1.669439 -0.250471
O 2.961720 2.281147 -1.185701
N 0.110446 -3.195408 -0.253451
N 3.723351 1.461599 -0.541412
C -2.932901 2.140946 0.093421
C -1.895517 3.101306 -0.519550
C -4.262083 2.172441 -0.678867
C -3.144112 2.369253 1.602822
C -1.034438 -1.175186 0.010552
C -1.265109 0.240960 0.388945
C 0.239566 -1.863842 -0.001399
C -1.985195 -2.159121 -0.254458
C 1.580546 -1.325198 0.169506
C -3.469844 -2.180875 -0.392098
C 2.741598 -1.835081 0.754062
C 3.768759 -0.848710 0.587528
C 3.178425 0.207081 -0.099897
H -1.726341 2.864057 -1.584397
H -2.278760 4.136035 -0.454434
H -0.933437 3.050621 0.012913
H -4.974768 1.437640 -0.265035
H -4.098497 1.942376 -1.745618
H -4.713594 3.177610 -0.602963
H -2.190432 2.322683 2.150675
H -3.590835 3.368148 1.758674
H -3.837815 1.616717 2.018683
H -3.774484 -1.731432 -1.353886
H -3.842273 -3.216806 -0.346893
H -3.940487 -1.580263 0.403217
H 2.825287 -2.798176 1.251671
H 4.801151 -0.889383 0.923611


