%chk=000171784.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171784

0 1
 O    2.040900      -1.232500      0.7962000    
 O  -0.2388000       2.086600      8.9699998E-02
 O  -0.2304000      -2.500000     -0.5395000    
 O   -4.218400     -0.2591000     -0.4028000    
 N   -2.275800      0.9612000      3.2400001E-02
 N   -2.217700      -1.363100     -0.3975000    
 C    1.253700     -0.2523000      9.1399997E-02
 C    2.263100      0.1365000       1.139100    
 C  -0.2017000     -0.2971000      0.4695000    
 C    1.578000     -0.1643000      -1.366500    
 C    3.590200      0.6955000      0.7411000    
 C    2.773200      0.7474000      -1.642800    
 C    3.947100      0.4231000     -0.7205000    
 C  -0.3158000     -0.5289000       1.987100    
 C  -0.8795000       1.036400      0.1602000    
 C  -0.8492000      -1.485300     -0.2225000    
 C   -2.995300     -0.2170000     -0.2459000    
 C   -3.023600       2.213000      3.1199999E-02
 H    1.992300      0.4602000       2.130900    
 H   0.7247000      0.2053000      -1.947000    
 H    1.800300      -1.167300      -1.752500    
 H    4.373200      0.2919000       1.392800    
 H    3.568100       1.779800      0.9050000    
 H    2.478600       1.794800      -1.502100    
 H    3.080200      0.6378000      -2.689000    
 H    4.231000     -0.6290000     -0.8459000    
 H    4.819000       1.025100     -0.9998000    
 H  -2.4700001E-02  0.3493000       2.573900    
 H   -1.362200     -0.7163000       2.264400    
 H   0.2363000      -1.405200       2.344200    
 H   -2.704300      -2.191400     -0.7295000    
 H   -2.487700       2.991600      0.5812000    
 H   -4.010300       2.067800      0.4806000    
 H   -3.153000       2.531400      -1.007900    


%chk=000171784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171784

0 1
O 2.257869 -1.232473 0.932175
O -0.450782 1.866535 1.387909
O -0.555035 -2.837674 0.132849
O -3.662819 0.157766 -1.532819
N -2.023783 1.035472 -0.089202
N -2.062285 -1.280654 -0.660070
C 1.220596 -0.355185 0.284915
C 2.289322 0.278298 1.129020
C -0.231155 -0.511679 0.868251
C 1.314790 -0.297763 -1.246972
C 3.464173 1.006798 0.504075
C 2.388599 0.689807 -1.769820
C 3.703074 0.591378 -0.965553
C -0.215527 -0.923654 2.369829
C -0.898937 0.874643 0.751334
C -0.934397 -1.641165 0.100192
C -2.649173 -0.011994 -0.808445
C -2.613913 2.393941 -0.184793
H 2.028866 0.577751 2.151076
H 0.332175 -0.025586 -1.680298
H 1.542190 -1.322923 -1.597029
H 4.368708 0.822385 1.115403
H 3.252473 2.094316 0.559652
H 2.004179 1.727695 -1.698718
H 2.572573 0.486945 -2.841513
H 4.083458 -0.447051 -0.998585
H 4.476148 1.243167 -1.413114
H 0.161570 -0.093641 2.987627
H -1.234257 -1.173618 2.715043
H 0.433160 -1.805594 2.485743
H -2.532906 -2.035895 -1.170620
H -2.957843 2.722960 0.809077
H -3.458044 2.347674 -0.886604
H -1.851568 3.104918 -0.540816


