%chk=000085577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085577

0 1
 O   -3.989900     -0.3763000      0.2650000    
 N   -6.591100       2.116100     -0.3535000    
 C    2.253000     -0.5503000     -0.2022000    
 C    3.487400      0.1878000      0.3240000    
 C   0.9337000      1.6799999E-02  0.3264000    
 C    4.802300     -0.3312000     -0.2619000    
 C  -0.2628000     -0.7760000     -0.2062000    
 C    5.993600      0.4876000      0.2411000    
 C   -1.585500     -0.1914000      0.2980000    
 C    7.304800     -3.8000001E-03 -0.3719000    
 C   -2.793100     -0.9448000     -0.2463000    
 C    8.486300      0.8288000      9.9500000E-02
 C   -5.140500      -1.054500     -0.2218000    
 C   -6.394600     -0.4105000      0.3526000    
 C   -6.503500       1.001600     -4.2800002E-02
 H    2.329500      -1.610300      7.0200004E-02
 H    2.248700     -0.5050000      -1.298400    
 H    3.518000      0.1046000       1.417400    
 H    3.386800       1.255200      9.0899996E-02
 H   0.9353000     -1.1200000E-02   1.422700    
 H   0.8433000       1.068400      2.9100001E-02
 H    4.758800     -0.2807000      -1.356600    
 H    4.934500      -1.385600      8.8999998E-03
 H  -0.2528000     -0.7635000      -1.302900    
 H  -0.1812000      -1.823700      0.1072000    
 H    5.845300       1.544500     -1.2300000E-02
 H    6.050000      0.4224000       1.334400    
 H   -1.611700     -0.2095000       1.394700    
 H   -1.664500      0.8657000      1.4600000E-02
 H    7.246300      4.4399999E-02  -1.465600    
 H    7.471600      -1.053000     -0.1018000    
 H   -2.801200     -0.8892000      -1.341300    
 H   -2.735700      -1.999100      4.9600001E-02
 H    8.592200      0.7783000       1.187900    
 H    8.365400       1.878700     -0.1859000    
 H    9.413600      0.4595000     -0.3496000    
 H   -5.101400      -2.106900      8.2300000E-02
 H   -5.158000      -1.006300      -1.317600    
 H   -6.365300     -0.4663000       1.447000    
 H   -7.279200     -0.9613000      1.5500000E-02


%chk=000085577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085577

0 1
O -4.048807 -0.464415 0.333750
N -6.717802 2.109177 -0.574180
C 2.275362 -0.518300 -0.306709
C 3.494805 0.257814 0.239772
C 0.927452 -0.006892 0.249179
C 4.844681 -0.255926 -0.310134
C -0.292350 -0.780992 -0.299476
C 6.064181 0.520703 0.235698
C -1.633096 -0.266224 0.272568
C 7.414401 0.006095 -0.313904
C -2.836915 -1.035279 -0.276954
C 8.627183 0.787184 0.236866
C -5.273289 -1.115432 -0.117469
C -6.451117 -0.323525 0.483769
C -6.592360 1.023757 -0.095667
H 2.387856 -1.595659 -0.062584
H 2.264926 -0.450342 -1.414836
H 3.503110 0.193789 1.348140
H 3.384638 1.334451 -0.007666
H 0.937325 -0.077266 1.356836
H 0.815542 1.070432 0.007310
H 4.836701 -0.192462 -1.418617
H 4.955451 -1.332525 -0.061844
H -0.304807 -0.702995 -1.406813
H -0.175314 -1.859622 -0.063092
H 5.955707 1.597361 -0.012969
H 6.073761 0.458121 1.344222
H -1.631348 -0.350926 1.376464
H -1.761495 0.806988 0.034116
H 7.404000 0.069333 -1.421346
H 7.522071 -1.069727 -0.065580
H -2.896357 -0.938768 -1.384551
H -2.762258 -2.118561 -0.027461
H 8.678133 0.713212 1.339748
H 8.558325 1.860526 -0.023182
H 9.579165 0.400973 -0.171967
H -5.317918 -2.166143 0.246556
H -5.333363 -1.126430 -1.227452
H -6.293475 -0.231404 1.574185
H -7.394303 -0.880100 0.325677


