%chk=000101704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101704

0 1
 O   -3.211300       1.281900      0.7600000    
 N  -0.8065000      -2.337800     -4.3499999E-02
 N    4.757900     -9.5399998E-02  2.1600001E-02
 N   -4.575000      7.3600002E-02 -0.6888000    
 C   0.3498000      -1.472700      0.3239000    
 C   0.1687000      9.6000005E-03 -0.1220000    
 C    1.677800      -2.121100     -0.2179000    
 C   -2.080500      -1.664300      0.2477000    
 C   -2.230600     -0.4069000     -0.6121000    
 C    2.817900      -1.172700     -0.1084000    
 C    1.350400      0.8977000     -4.7899999E-02
 C    2.571900      0.2142000     -4.0500000E-02
 C   -1.011700      0.4626000     -0.5794000    
 C    3.784200      0.8796000      3.6200002E-02
 C  -0.7734000      -3.631700      0.6460000    
 C    4.181500      -1.344200     -6.7800000E-02
 C    1.398700       2.295200      2.5800001E-02
 C   -3.370900      0.4197000     -9.9900000E-02
 C    3.850100       2.271800      0.1086000    
 C    2.628900       2.964000      0.1015000    
 C   -5.830300      0.7053000     -0.3519000    
 C   -5.647700       1.771600      0.7084000    
 H   0.4246000      -1.434600       1.422600    
 H    1.555100      -2.400900      -1.272300    
 H    1.918000      -3.030000      0.3449000    
 H   -2.158900      -1.425100       1.318200    
 H   -2.921000      -2.332700      1.7899999E-02
 H   -2.411900     -0.6845000      -1.658700    
 H   -1.111600       1.478500     -0.9539000    
 H   -1.652800      -4.230900      0.3825000    
 H  -0.7529000      -3.517900       1.735800    
 H   9.0499997E-02  -4.228400      0.3392000    
 H    4.799200      -2.230700     -9.7400002E-02
 H   0.4856000       2.884500      3.6400001E-02
 H    5.752400      7.8699999E-02  6.5600000E-02
 H    4.795900       2.798100      0.1690000    
 H    2.638100       4.050200      0.1598000    
 H   -4.597000     -0.6652000      -1.385400    
 H   -6.241500       1.134100      -1.270800    
 H   -6.511500     -7.7699997E-02 -4.9999999E-03
 H   -5.301600       1.367600       1.665400    
 H   -5.025200       2.606900      0.3716000    
 H   -6.630600       2.211600      0.9200000    


%chk=000101704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101704

0 1
O -3.217974 1.966447 0.340085
N -0.851741 -2.029004 0.268749
N 4.979558 -0.380010 -0.136907
N -4.570669 0.363192 -0.673950
C 0.430568 -1.280974 0.410461
C 0.329253 0.152828 -0.158919
C 1.607633 -2.096939 -0.237370
C -2.044576 -1.187331 0.529951
C -2.150981 -0.083753 -0.551872
C 2.882225 -1.291804 -0.174503
C 1.602309 0.917204 -0.163464
C 2.784532 0.140701 -0.147996
C -0.846632 0.676538 -0.603196
C 4.092333 0.706662 -0.133456
C -0.884231 -3.264189 1.081426
C 4.242903 -1.589964 -0.159645
C 1.771437 2.321496 -0.159088
C -3.340191 0.852324 -0.253879
C 4.260572 2.110758 -0.135639
C 3.079212 2.892803 -0.149949
C -5.840354 1.061165 -0.410746
C -6.720361 0.329957 0.625306
H 0.688705 -1.163639 1.498605
H 1.320638 -2.314667 -1.285298
H 1.721861 -3.067074 0.278240
H -2.013722 -0.700281 1.536832
H -2.934839 -1.843394 0.502081
H -2.329247 -0.592114 -1.524450
H -0.879959 1.699689 -0.995070
H -1.856593 -3.768188 0.939637
H -0.748028 -3.073528 2.176044
H -0.098539 -3.965948 0.756808
H 4.757522 -2.549361 -0.168096
H 0.900082 2.984888 -0.132818
H 5.994718 -0.317984 -0.124816
H 5.246536 2.587822 -0.123287
H 3.173588 3.984891 -0.141187
H -4.598837 -0.536452 -1.158118
H -5.564594 2.063828 -0.041540
H -6.392420 1.188368 -1.362300
H -6.989698 -0.687594 0.284845
H -6.190457 0.244541 1.589940
H -7.658743 0.889692 0.793548


