%chk=000159477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159477

0 1
 O   -2.008800      -3.074200      0.1985000    
 N   -1.214800     -0.9524000     -9.4999997E-03
 N   -2.662000      0.9022000     -0.2509000    
 C   -1.386900      0.4156000     -0.1624000    
 C   0.8196000     -2.8400000E-02 -5.2700002E-02
 C  -0.1385000       1.003100     -0.1908000    
 C   0.1353000      -1.218300      5.6699999E-02
 C   -2.853400       2.338300     -0.4139000    
 C   -2.255300      -1.887000      6.2600002E-02
 C   -3.728300      1.9800000E-02 -0.1846000    
 C    2.250900      4.8900001E-02 -2.0800000E-02
 C   -3.614700      -1.306600     -3.7599999E-02
 C   -2.964800       3.038800      0.9245000    
 C    3.012100      -1.112200      0.1258000    
 C    2.887200       1.286200     -0.1364000    
 C    4.404500      -1.036300      0.1565000    
 C    4.279700       1.362000     -0.1057000    
 C    5.038400      0.2006000      4.0700000E-02
 H   4.8599999E-02   2.062900     -0.2966000    
 H   0.4623000      -2.242500      0.1765000    
 H   -2.049800       2.790300      -1.008000    
 H   -3.770500       2.526700     -0.9876000    
 H   -4.702500      0.4902000     -0.2596000    
 H   -4.473200      -1.963700      1.1300000E-02
 H   -3.801400       2.643100       1.510000    
 H   -2.053400       2.912500       1.517900    
 H   -3.129200       4.111200      0.7804000    
 H    2.577000      -2.101800      0.2204000    
 H    2.332000       2.212800     -0.2519000    
 H    4.996100      -1.940100      0.2706000    
 H    4.773700       2.325100     -0.1958000    
 H    6.122600      0.2597000      6.4599998E-02


%chk=000159477-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159477

0 1
O -2.140581 -3.207218 0.010719
N -1.287167 -1.018766 -0.090153
N -2.729126 0.914222 -0.282700
C -1.436081 0.385620 -0.192590
C 0.795153 -0.112449 -0.068999
C -0.165981 0.967596 -0.181520
C 0.072777 -1.318003 -0.014601
C -2.904322 2.386781 -0.313835
C -2.380447 -1.968178 -0.079175
C -3.811574 0.054424 -0.270692
C 2.263880 0.028157 -0.023226
C -3.677316 -1.322466 -0.179338
C -2.820994 3.030448 1.085584
C 3.092090 -1.048001 0.404890
C 2.895939 1.243974 -0.406971
C 4.494835 -0.915719 0.441567
C 4.299597 1.380269 -0.364287
C 5.108958 0.300630 0.058785
H 0.057493 2.031901 -0.213153
H 0.388925 -2.355652 0.040133
H -2.131911 2.807399 -0.982927
H -3.885023 2.595077 -0.776772
H -4.793402 0.530656 -0.342370
H -4.558924 -1.964247 -0.183115
H -3.616911 2.644161 1.745911
H -1.847846 2.823676 1.562310
H -2.940358 4.125788 1.003895
H 2.632051 -1.989303 0.725950
H 2.286388 2.083652 -0.759670
H 5.110319 -1.758567 0.775867
H 4.762955 2.326028 -0.667755
H 6.199102 0.404608 0.090435


