%chk=000082344.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082344

0 1
 O   -1.884700      -1.252800       1.714800    
 O  -0.7295000      -2.191700      -1.288800    
 O   -4.275600      -1.631000     -6.8400003E-02
 O  -0.9023000       3.498100      -1.313000    
 N   -2.379800      0.4744000      0.2195000    
 C   -3.777400      0.6186000      0.6021000    
 C   -1.915200       1.376600     -0.8320000    
 C  -0.1503000     -0.5651000      0.3730000    
 C   -1.532400     -0.4713000      0.8226000    
 C    2.163700      0.1532000      0.5909000    
 C    2.525800     -0.7163000     -0.4653000    
 C   0.8211000      0.2171000      0.9982000    
 C   0.2057000      -1.420100     -0.6659000    
 C   -4.678200     -0.2769000     -0.2287000    
 C   -1.372300       2.671600     -0.2560000    
 C    1.534600      -1.495900      -1.083500    
 C    3.154900      0.9330000       1.209100    
 C    3.868200     -0.7799000     -0.8729000    
 C    4.483900      0.8564000      0.7916000    
 C    4.839900      1.9000000E-03 -0.2475000    
 H   -4.078400       1.667900      0.5160000    
 H   -3.864500      0.3332000       1.657000    
 H   -2.743300       1.583200      -1.521200    
 H   -1.147900      0.8985000      -1.448300    
 H   0.5356000      0.8743000       1.818200    
 H   -4.613400     -3.1500001E-02  -1.293000    
 H   -5.722500     -0.1819000      8.3999999E-02
 H  -0.5425000       2.508500      0.4329000    
 H   -2.146100       3.220000      0.2913000    
 H    1.805400      -2.166900      -1.897000    
 H    2.899400       1.608300       2.023000    
 H    4.169400      -1.440900      -1.683000    
 H    5.240800       1.464800       1.278000    
 H    5.874700     -5.7000000E-02 -0.5721000    
 H  -0.2976000      -2.717500      -1.983700    
 H   -4.358700      -1.852200      0.8749000    
 H   -1.653900       3.673700      -1.904500    


%chk=000082344-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082344

0 1
O -1.883750 -0.918203 1.657186
O -0.756390 -1.350861 -1.916495
O -4.546975 -1.400238 1.735073
O -1.454808 3.753970 -1.837583
N -2.433462 0.536421 -0.068037
C -3.840497 0.621073 0.424848
C -2.053174 1.430709 -1.182726
C -0.093723 -0.321140 0.162586
C -1.535084 -0.256707 0.615357
C 2.298254 -0.054850 0.738210
C 2.674078 -0.653228 -0.526756
C 0.908185 0.079715 1.050911
C 0.296700 -0.927824 -1.081769
C -4.614675 -0.726717 0.447777
C -1.821453 2.887316 -0.710541
C 1.642368 -1.089769 -1.417575
C 3.325193 0.373953 1.641879
C 4.066291 -0.795692 -0.839660
C 4.673710 0.223528 1.311123
C 5.044829 -0.365079 0.059569
H -4.354410 1.336607 -0.241508
H -3.859010 1.034090 1.452732
H -2.857176 1.403900 -1.944842
H -1.138654 1.065571 -1.669000
H 0.617116 0.491998 2.023711
H -4.247472 -1.368264 -0.383496
H -5.688008 -0.523576 0.282954
H -0.955005 2.929735 -0.030478
H -2.712098 3.277483 -0.173624
H 1.923063 -1.559262 -2.369980
H 3.035580 0.821623 2.599880
H 4.355073 -1.247804 -1.795968
H 5.452841 0.553772 2.006240
H 6.105750 -0.477337 -0.189640
H -0.407978 -1.842743 -2.700960
H -3.573234 -1.420973 1.980461
H -2.235395 3.863204 -2.437559


