%chk=000170079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170079

1 1
 O    1.363500      0.3169000      0.5948000    
 O    6.165100     -0.1795000      0.5975000    
 N   -1.794200      0.2532000     -0.6744000    
 N   -1.618200       1.956000      0.6492000    
 C  -0.9244000       1.079100     -8.3999999E-02
 C   -3.082300      0.5981000     -0.3198000    
 C   -2.968700       1.697400      0.5347000    
 C   -1.438000     -0.8436000      -1.558100    
 C   0.5569000       1.031500     -0.2184000    
 C   -4.309600      4.8300002E-02 -0.6707000    
 C   -1.037500       3.023000       1.446200    
 C   -4.074500       2.323400       1.097900    
 C   -1.241500      -2.098600     -0.7528000    
 C    1.266300       1.702400      -1.175400    
 C    2.629900       1.382200     -0.9432000    
 C    2.636000      0.5281000      0.1548000    
 C   -5.434900      0.6693000     -0.1101000    
 C   -5.320200       1.779600      0.7532000    
 C   -2.321600      -2.940300     -0.5220000    
 C   1.7600000E-02  -2.400100     -0.2506000    
 C    3.857900       1.719500      -1.538600    
 C    3.789500     -2.2200000E-02  0.7103000    
 C    4.999200      0.3260000      0.1024000    
 C    5.035600       1.181200      -1.002000    
 C   -2.139400      -4.104400      0.2246000    
 C   0.1997000      -3.564200      0.4960000    
 C  -0.8789000      -4.416400      0.7335000    
 C    6.066800      -1.046200       1.725000    
 H  -0.5311000     -0.5933000      -2.119800    
 H   -2.218300     -0.9824000      -2.315700    
 H   -4.404500     -0.7896000      -1.347700    
 H  -5.6000002E-02   2.724300       1.823400    
 H  -0.9345000       3.914000      0.8210000    
 H   -1.671300       3.249100       2.307400    
 H   -3.984000       3.177000       1.757200    
 H   0.8643000       2.343600      -1.947500    
 H   -6.425000      0.2883000     -0.3505000    
 H   -6.224400       2.226500       1.160500    
 H   -3.305300      -2.726800     -0.9248000    
 H   0.8804000      -1.789400     -0.4796000    
 H    3.901600       2.382700      -2.397300    
 H    3.687900     -0.6771000       1.565000    
 H    5.989100       1.437600      -1.457900    
 H   -2.978000      -4.770700      0.4052000    
 H    1.184600      -3.815100      0.8789000    
 H  -0.7360000      -5.325100       1.310800    
 H    5.510100      -1.958600       1.485300    
 H    5.657800     -0.5271000       2.598600    
 H    7.084900      -1.353900       1.985600    


%chk=000170079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170079

1 1
O 1.781548 1.045430 0.798678
O 6.733680 1.162305 0.663801
N -1.512988 0.024385 -0.508699
N -1.127595 1.684720 0.952611
C -0.530503 0.830701 0.044120
C -2.765833 0.387251 0.040259
C -2.514894 1.426911 0.980114
C -1.289057 -1.087414 -1.476326
C 0.872260 0.797444 -0.282608
C -4.072077 -0.089463 -0.194555
C -0.480319 2.761148 1.726034
C -3.550123 2.026350 1.724614
C -1.947749 -2.398150 -1.063223
C 1.578095 0.591042 -1.469243
C 2.979233 0.696692 -1.162231
C 3.073341 0.972161 0.234867
C -5.109878 0.513505 0.544589
C -4.855743 1.551530 1.487387
C -2.750992 -3.100646 -1.993353
C -1.716338 -2.954871 0.219399
C 4.184687 0.596087 -1.916924
C 4.270201 1.142914 0.939553
C 5.451598 1.029187 0.160023
C 5.401074 0.761332 -1.251651
C -3.318644 -4.348103 -1.646839
C -2.290956 -4.195391 0.569030
C -3.092826 -4.895541 -0.363597
C 6.905466 1.430682 2.101855
H -0.196145 -1.219938 -1.547238
H -1.656863 -0.765444 -2.468070
H -4.275508 -0.898061 -0.899281
H 0.506649 2.984575 1.301857
H -1.111505 3.663268 1.677106
H -0.351870 2.455125 2.777610
H -3.360079 2.818691 2.453680
H 1.145600 0.434858 -2.456379
H -6.138207 0.171420 0.394173
H -5.693304 1.987270 2.040306
H -2.929452 -2.682210 -2.992083
H -1.088068 -2.424169 0.945833
H 4.164759 0.390906 -2.991024
H 4.280315 1.346707 2.011818
H 6.354740 0.690455 -1.781607
H -3.933867 -4.888149 -2.373850
H -2.109856 -4.620275 1.561852
H -3.533665 -5.860482 -0.092893
H 6.481584 0.608627 2.708098
H 6.440218 2.394711 2.379902
H 7.992253 1.483617 2.250606


