%chk=000177364.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177364

0 1
 O  -0.4554000      -1.318200       1.475300    
 O    2.108300      -1.155000     -0.6788000    
 O    5.376600       1.840500     -0.6366000    
 O    7.411300      0.8805000     -0.9610000    
 N   -5.076000     -0.2881000     -0.3169000    
 N   0.8222000      0.5804000       1.046300    
 N   -7.567100      -1.636800     -0.6697000    
 N    4.121000     -0.7106000      0.3948000    
 C   -6.022800      0.1731000      -1.338000    
 C   -5.658100      -1.060700      0.7889000    
 C   -3.914000      0.4498000     -6.4300001E-02
 C   -1.583000       1.927100      0.4102000    
 C  -0.3449000       2.721500      0.7088000    
 C   -1.588700      0.5368000      0.5981000    
 C   0.8860000       1.886300      0.3980000    
 C   -6.915400     -0.9783000      -1.800500    
 C   -6.562300      -2.168600      0.2498000    
 C   -2.754600     -0.2001000      0.3594000    
 C  -0.3637000     -0.1591000       1.077500    
 C   -3.916300       1.831900     -0.2422000    
 C   -2.757300       2.569500     -5.0000002E-04
 C    2.081800     -2.1700000E-02   1.454600    
 C    2.740600     -0.6779000      0.2601000    
 C    4.998300      -1.323900     -0.5764000    
 C    5.428100     -0.3198000      -1.647600    
 C    6.176500      -1.881100      0.1068000    
 C    6.191800      0.8422000      -1.058800    
 C    7.137000      -2.339700      0.6626000    
 H   -5.489700      0.5638000      -2.213800    
 H   -6.646400      0.9795000     -0.9313000    
 H   -4.885400      -1.524200       1.412900    
 H   -6.233100     -0.3852000       1.435400    
 H  -0.3587000       3.002400       1.768800    
 H  -0.3173000       3.641600      0.1143000    
 H    1.782400       2.421000      0.7306000    
 H   0.9740000       1.709200     -0.6810000    
 H   -7.682200     -0.5892000      -2.479100    
 H   -6.325600      -1.709100      -2.368200    
 H   -7.068900      -2.659300       1.087900    
 H   -5.961300      -2.935000     -0.2558000    
 H   -2.754700      -1.280200      0.4856000    
 H   -8.146000      -2.402100      -1.014200    
 H   -4.807100       2.370600     -0.5524000    
 H   -2.776700       3.648400     -0.1315000    
 H    1.896700     -0.8012000       2.201500    
 H    2.719400      0.7450000       1.905800    
 H    4.544700     -0.2632000       1.203400    
 H    4.450900      -2.137600      -1.066800    
 H    4.560000      7.5800002E-02  -2.189200    
 H    6.070100     -0.7948000      -2.399800    
 H    7.989200      -2.745800       1.155500    
 H    5.881800       2.587100     -0.2497000    


%chk=000177364-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177364

0 1
O -0.271615 -0.629700 1.462186
O 2.432907 0.187600 -1.394476
O 6.567601 0.010694 1.494643
O 8.520795 -0.117937 0.251353
N -5.154036 -0.485386 -0.181353
N 0.711821 1.292757 0.578596
N -7.409924 -2.252421 -0.081163
N 4.105329 -0.220433 0.174036
C -6.448713 -0.084145 -0.769265
C -5.283221 -1.504424 0.890812
C -4.084601 0.441209 -0.147286
C -1.869819 2.295898 -0.154612
C -0.682464 3.239811 -0.088974
C -1.712941 0.960756 0.312004
C 0.625867 2.466504 -0.327574
C -7.252659 -1.321349 -1.216794
C -6.094222 -2.719092 0.406561
C -2.793142 0.056590 0.316822
C -0.390401 0.468319 0.823273
C -4.235225 1.786597 -0.610089
C -3.145150 2.682242 -0.614537
C 2.028291 0.807124 0.977638
C 2.850904 0.232152 -0.199441
C 5.031406 -0.818892 -0.803375
C 6.355806 -0.005497 -0.932351
C 5.301960 -2.245519 -0.513692
C 7.276766 -0.055315 0.274454
C 5.542166 -3.432103 -0.285996
H -6.264525 0.542423 -1.658909
H -7.057677 0.503217 -0.043522
H -4.286387 -1.839483 1.213702
H -5.800848 -1.062206 1.771975
H -0.640993 3.730331 0.905735
H -0.775591 4.041452 -0.844590
H 1.498356 3.115074 -0.124236
H 0.699177 2.122783 -1.377321
H -8.250058 -0.993704 -1.562647
H -6.716841 -1.786524 -2.081559
H -6.243646 -3.413421 1.253142
H -5.504601 -3.246863 -0.383364
H -2.582151 -0.954577 0.675614
H -8.059067 -3.022875 -0.282992
H -5.208463 2.150938 -0.950206
H -3.302176 3.707577 -0.972024
H 1.861271 0.003701 1.720263
H 2.605655 1.622262 1.458506
H 4.434661 -0.162818 1.141604
H 4.500477 -0.745439 -1.774243
H 6.092701 1.051772 -1.128072
H 6.939973 -0.373199 -1.791904
H 5.738171 -4.469902 -0.086588
H 7.215093 -0.039056 2.249040


