%chk=000015004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015004

0 1
 O    2.132000       1.031700      0.8853000    
 O   -5.456500     -0.1653000      0.1288000    
 O   0.6601000       2.539800     -0.9275000    
 O    4.463000       1.260000     -0.2302000    
 O   -3.435700      -1.030300     -0.5703000    
 N    4.983700      -1.002700     -0.2313000    
 C    4.662100      -2.396000      6.7599997E-02
 C    6.294600     -0.7850000     -0.8308000    
 C    4.155900      9.0999998E-02  2.3100000E-02
 C   -2.017500      0.9009000      0.9452000    
 C    2.808100     -0.1858000      0.6551000    
 C   0.7576000      0.9941000      0.8982000    
 C   -3.507700      0.8510000      0.9707000    
 C   3.1700000E-02   1.751200     -1.1500000E-02
 C   -1.362300       1.704300      1.2000000E-02
 C    5.118200      -2.784600       1.458700    
 C    6.227700     -0.8317000      -2.343200    
 C   -1.278800      0.1441000       1.854800    
 C   0.1151000      0.1908000       1.831000    
 C   -4.092100     -0.2298000      8.2000002E-02
 C   -6.146800      -1.134000     -0.6672000    
 C   -7.644800     -0.9267000     -0.5043000    
 C   -8.445300      -1.932700      -1.311800    
 C   0.9777000       1.946000      -2.184700    
 H    3.582400      -2.549500     -1.0600000E-02
 H    5.127300      -3.044000     -0.6836000    
 H    7.000900      -1.531500     -0.4517000    
 H    6.670500      0.1973000     -0.5229000    
 H    2.233100     -0.8195000     -3.0400001E-02
 H    2.954200     -0.6987000       1.609800    
 H   -3.856600      0.6768000       1.996000    
 H   -3.914800       1.817600      0.6495000    
 H   -1.933000       2.295200     -0.7004000    
 H    4.849800      -3.824600       1.669300    
 H    4.660100      -2.153700       2.226200    
 H    6.204100      -2.689200       1.560400    
 H    7.217700     -0.6532000      -2.774100    
 H    5.544200     -6.9799997E-02  -2.732600    
 H    5.873900      -1.806000      -2.695800    
 H   -1.777300     -0.4861000       2.586600    
 H   0.6784000     -0.3971000       2.549800    
 H   -5.866900      -2.140200     -0.3341000    
 H   -5.860900      -1.008700      -1.718100    
 H   -7.910300      9.2500001E-02 -0.8095000    
 H   -7.913300      -1.002800      0.5562000    
 H   -8.223300      -2.956500     -0.9943000    
 H   -9.517700      -1.760400      -1.176500    
 H   -8.219600      -1.847100      -2.379500    
 H   6.5300003E-02   1.629900      -2.700200    
 H    1.648600       1.091700      -2.051000    
 H    1.484800       2.695100      -2.798900    


%chk=000015004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015004

0 1
O 1.771454 0.578527 -0.096966
O -5.393056 -0.116400 0.353478
O -0.005952 2.758314 -0.542833
O 3.983385 0.702209 -1.576121
O -4.425038 -1.835783 1.593236
N 5.028048 -1.062902 -0.475350
C 5.025082 -2.188921 0.486914
C 6.285636 -0.804215 -1.221583
C 3.937994 -0.241916 -0.731798
C -2.221815 0.471553 1.355423
C 2.648093 -0.566750 0.056823
C 0.449284 0.467488 0.371432
C -3.651791 0.496667 1.899538
C -0.402467 1.585583 0.110643
C -1.722650 1.567357 0.614037
C 5.552952 -1.799872 1.886588
C 6.357717 -1.589981 -2.547828
C -1.378140 -0.641721 1.580650
C -0.054149 -0.641555 1.091260
C -4.502753 -0.618693 1.302534
C -6.251445 -1.122006 -0.345310
C -7.177869 -0.345649 -1.281402
C -8.113633 -1.295882 -2.062014
C 0.810724 2.664589 -1.779868
H 4.007888 -2.611256 0.566125
H 5.655069 -2.993125 0.061622
H 7.133691 -1.069075 -0.562535
H 6.332876 0.277906 -1.429332
H 2.177062 -1.482552 -0.363467
H 2.861611 -0.744194 1.130545
H -3.639294 0.342803 2.994553
H -4.126603 1.466921 1.686614
H -2.349184 2.440534 0.403548
H 5.567162 -2.681935 2.552852
H 4.919423 -1.024249 2.352440
H 6.581394 -1.401876 1.824469
H 7.315087 -1.386706 -3.061777
H 5.535563 -1.281638 -3.215420
H 6.285965 -2.680741 -2.380531
H -1.757743 -1.509502 2.130248
H 0.587873 -1.503988 1.296846
H -6.809737 -1.699124 0.415279
H -5.592389 -1.821669 -0.892666
H -6.566019 0.249653 -1.984443
H -7.773758 0.371761 -0.686655
H -8.750611 -1.886651 -1.377434
H -8.780076 -0.724238 -2.731758
H -7.538652 -2.005801 -2.685651
H 0.268863 2.076080 -2.545560
H 1.795267 2.212041 -1.585179
H 0.911266 3.708377 -2.114917


