%chk=000050800.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050800

0 1
 O    1.363100     -0.5673000      0.6703000    
 O    2.306900      -2.575600      5.7900000E-02
 N   -1.148700      0.8397000      0.5850000    
 N    6.864400       1.769800      -1.274200    
 C   -2.020800       1.864700       1.159500    
 C   -3.461200       1.343800       1.298300    
 C   0.1659000      -1.243700       1.075100    
 C   -4.089400      0.9490000     -4.4500001E-02
 C  -0.7974000     -0.1559000       1.585100    
 C   -5.511400      0.4147000      0.1475000    
 C   -1.983900       3.117700      0.2850000    
 C   -6.179700     -2.0000000E-02  -1.159900    
 C  -0.3881000      -1.982000     -0.1470000    
 C   0.5401000      -2.237200       2.178900    
 C   -7.590800     -0.5767000     -0.9661000    
 C   -8.236400     -0.9253000      -2.298600    
 C    2.348400      -1.361300      0.1813000    
 C    3.528200     -0.5439000     -0.1985000    
 C    4.361500     -0.9618000      -1.236300    
 C    3.803300      0.6422000      0.4821000    
 C    5.469700     -0.1937000      -1.593300    
 C    4.911400       1.410300      0.1251000    
 C    5.744600      0.9924000     -0.9126000    
 H   -1.659600       2.163000       2.152600    
 H   -4.075500       2.130100       1.756900    
 H   -3.504700      0.4959000       1.990900    
 H   -4.134500       1.810900     -0.7183000    
 H   -3.485200      0.1784000     -0.5367000    
 H  -0.3172000      0.3477000       2.435000    
 H   -1.695200     -0.6560000       1.964100    
 H  -0.2918000       1.270100      0.2371000    
 H   -6.127100       1.186600      0.6258000    
 H   -5.485700     -0.4405000      0.8344000    
 H   -2.704600       3.863900      0.6363000    
 H  -0.9899000       3.578900      0.3219000    
 H   -2.198100       2.903300     -0.7672000    
 H   -5.556500     -0.7799000      -1.647600    
 H   -6.219500      0.8399000      -1.840200    
 H   -1.445900      -2.227300      7.4000000E-03
 H   0.1025000      -2.936300     -0.3572000    
 H  -0.3130000      -1.373000      -1.055200    
 H    1.030500      -3.148900       1.829000    
 H    1.206700      -1.772600       2.914800    
 H  -0.3608000      -2.571300       2.707100    
 H   -7.553100      -1.471400     -0.3341000    
 H   -8.213100      0.1618000     -0.4476000    
 H   -7.651800      -1.682000      -2.831500    
 H   -8.318900     -4.0700000E-02  -2.938400    
 H   -9.243100      -1.323800      -2.138800    
 H    4.158900      -1.881900      -1.778300    
 H    3.178500      0.9861000       1.302100    
 H    6.110900     -0.5294000      -2.404300    
 H    5.116600       2.331500      0.6645000    
 H    7.065100       2.628900     -0.7799000    
 H    7.469900       1.466500      -2.025300    


%chk=000050800-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050800

0 1
O 1.325399 -0.748069 0.638583
O 2.437397 -2.662454 -0.151332
N -1.068367 0.694926 0.667971
N 6.798095 2.031374 -1.234469
C -1.883718 1.840299 1.146860
C -3.380869 1.445210 1.292098
C 0.070078 -1.499700 1.071266
C -4.072808 1.032477 -0.025196
C -0.791702 -0.357316 1.661202
C -5.488441 0.452614 0.194579
C -1.684844 3.028498 0.182325
C -6.207360 0.089133 -1.124232
C -0.596272 -2.152431 -0.153870
C 0.438802 -2.517228 2.167318
C -7.620843 -0.500750 -0.913647
C -8.333783 -0.846115 -2.239134
C 2.411478 -1.420431 0.063150
C 3.522864 -0.489950 -0.257041
C 4.683734 -1.017138 -0.886407
C 3.481839 0.899411 0.040869
C 5.767988 -0.190959 -1.212581
C 4.561470 1.736610 -0.279531
C 5.725689 1.205576 -0.914354
H -1.540060 2.168902 2.163654
H -3.918651 2.300895 1.751007
H -3.463657 0.609667 2.017978
H -4.145710 1.907407 -0.702633
H -3.432874 0.287701 -0.538021
H -0.272374 0.033444 2.572681
H -1.746526 -0.803882 1.998550
H -0.187021 1.006352 0.236258
H -6.107037 1.183889 0.757514
H -5.419326 -0.451841 0.835695
H -2.337021 3.874577 0.463546
H -0.636947 3.384884 0.204947
H -1.922794 2.733916 -0.855151
H -5.588121 -0.637115 -1.691335
H -6.281800 0.995444 -1.761528
H -1.528699 -2.653273 0.166982
H 0.069889 -2.902449 -0.606918
H -0.863584 -1.381504 -0.894722
H 1.046135 -3.335382 1.750746
H 1.006208 -2.027615 2.979089
H -0.484940 -2.944912 2.599615
H -7.545636 -1.411068 -0.284169
H -8.235043 0.223235 -0.339649
H -7.755031 -1.591112 -2.817473
H -8.446551 0.053949 -2.873013
H -9.342073 -1.264263 -2.062471
H 4.709189 -2.088872 -1.110470
H 2.595942 1.310337 0.533368
H 6.655176 -0.614482 -1.698837
H 4.516368 2.806356 -0.041052
H 6.773619 3.024893 -1.023195
H 7.627625 1.656735 -1.686019


