%chk=000096523.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096523

0 1
 O    1.214900     -0.9055000      0.7324000    
 O  -0.6450000       2.658400     -0.2060000    
 O    2.165200       2.331400     -0.7475000    
 O  -2.6000001E-02  -1.516200      -1.188900    
 O    3.916600      -1.297400      0.6956000    
 O   -3.267300     -0.4635000       1.596100    
 N   -2.154800      0.1850000     -0.3434000    
 C  -0.8278000      0.2971000      0.2172000    
 C  -2.2900000E-02   1.400300     -0.4748000    
 C    1.410600       1.435300      6.4599998E-02
 C    2.045500      3.9799999E-02  4.9500000E-02
 C  -8.5800000E-02  -1.041600      0.1549000    
 C    3.405100      2.1700000E-02  0.7427000    
 C   -3.263000     -0.1874000      0.3993000    
 C   0.6584000      -2.757100      -1.268600    
 C   -4.523500     -0.2002000     -0.4233000    
 H  -0.9409000      0.5739000       1.274700    
 H  -2.2299999E-02   1.274100      -1.564100    
 H    1.411200       1.835900       1.086400    
 H    2.198500     -0.2959000     -0.9842000    
 H  -0.6339000      -1.779300      0.7542000    
 H    3.321700      0.3106000       1.795700    
 H    4.117800      0.6891000      0.2497000    
 H   -2.263500      0.3384000      -1.342000    
 H  -0.6544000       2.791900      0.7571000    
 H    1.724700       3.197900     -0.7130000    
 H   0.1843000      -3.504100     -0.6240000    
 H    1.715700      -2.654100      -1.010200    
 H   0.5981000      -3.110600      -2.301800    
 H    3.271700      -1.879200       1.133000    
 H   -5.343600     -0.6216000      0.1646000    
 H   -4.780200      0.8215000     -0.7165000    
 H   -4.382000     -0.8125000      -1.318400    


%chk=000096523-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096523

0 1
O 1.429313 -1.005047 0.731991
O -0.709304 2.573035 0.350600
O 2.037462 2.531327 -0.265557
O -0.064362 -1.647276 -1.064596
O 4.172664 -1.226210 0.223623
O -3.216568 1.634521 0.648179
N -2.109540 -0.220509 -0.198108
C -0.813527 0.068542 0.455326
C -0.099073 1.327643 -0.110376
C 1.361441 1.403285 0.372354
C 2.116900 0.121635 0.016883
C 0.056727 -1.212368 0.328968
C 3.562335 0.077365 0.510473
C -3.235372 0.545743 -0.028108
C 0.644318 -2.907703 -1.349263
C -4.514065 0.038365 -0.671690
H -0.994739 0.252739 1.532995
H -0.107176 1.277075 -1.220475
H 1.348420 1.530577 1.477419
H 2.077006 -0.070704 -1.072637
H -0.303263 -2.013390 1.006586
H 3.594814 0.303803 1.597044
H 4.159115 0.825706 -0.031378
H -2.086409 -0.982773 -0.883294
H -1.690398 2.418585 0.550720
H 1.429500 3.311176 -0.164782
H 0.294149 -3.717291 -0.677398
H 1.734991 -2.777309 -1.233184
H 0.404328 -3.155298 -2.394075
H 3.604616 -1.910324 0.663936
H -5.251162 -0.181065 0.120639
H -4.944023 0.833197 -1.303801
H -4.366017 -0.870949 -1.278012


