%chk=000071857.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071857

0 1
 O   -4.737200       1.164400     -0.1919000    
 O   0.6805000       1.237500      -2.241900    
 O    2.706500      -2.741900     -0.8019000    
 O   -1.200200      -3.209300      -1.135000    
 O   -1.122400      -3.585000       1.617400    
 N    1.595700       2.388700      0.3632000    
 N   -1.227700       2.359800     -0.3531000    
 N    2.796800     -0.8926000      0.6073000    
 N    1.688300     -0.7666000      -1.542500    
 N    2.733900       1.214200       1.878100    
 C   0.9251000       3.516700     -0.2380000    
 C    1.748700       1.136900     -0.1602000    
 C  -0.5558000       3.560500      0.1276000    
 C    2.447800      0.4390000      0.7864000    
 C   -2.641400       2.380000     -3.7000000E-03
 C   -3.352800       1.130100     -0.5361000    
 C    1.308800      0.5951000      -1.404900    
 C    2.205500       2.386000       1.591100    
 C    2.423400      -1.557700     -0.5873000    
 C   -2.754100     -0.1352000      3.8100000E-02
 C    3.542000      -1.601600       1.640100    
 C    1.293300      -1.434100      -2.778600    
 C   -2.250000      -1.095000     -0.8223000    
 C   -2.723900     -0.3057000       1.411500    
 C   -1.698500      -2.261800     -0.2929000    
 C   -2.172500      -1.472300       1.940800    
 C   -1.659700      -2.450300       1.088800    
 H    1.420800       4.424300      0.1270000    
 H    1.082600       3.490300      -1.320900    
 H  -0.6608000       3.639400       1.216700    
 H   -1.003600       4.455900     -0.3197000    
 H   -2.775600       2.472400       1.081100    
 H   -3.127200       3.263600     -0.4385000    
 H   -1.124500       2.289200      -1.365000    
 H   -3.297700       1.114500      -1.631900    
 H    2.231300       3.260100       2.227700    
 H    4.494800      -1.089300       1.805500    
 H    3.743300      -2.636900       1.354000    
 H    2.956600      -1.598500       2.564800    
 H   0.3381000      -1.042600      -3.140500    
 H    1.207200      -2.515200      -2.643900    
 H    2.062400      -1.230200      -3.530100    
 H   -2.279000     -0.9457000      -1.898200    
 H   -3.129800      0.4379000       2.090500    
 H   -5.110200       1.982900     -0.5614000    
 H   -2.147300      -1.614400       3.017800    
 H   -1.321400      -2.912700      -2.053300    
 H  -0.8144000      -4.147300      0.8854000    


%chk=000071857-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071857

0 1
O -4.695921 1.040706 0.098163
O 0.744482 1.232844 -2.397703
O 2.226654 -2.889509 -0.645443
O -1.101006 -3.326280 -1.246256
O -0.204905 -3.377678 1.331017
N 1.527847 2.423882 0.402638
N -1.304725 2.599103 -0.478602
N 2.353613 -1.024305 0.749749
N 1.549769 -0.799908 -1.513618
N 2.392040 1.087973 2.048998
C 0.954754 3.606913 -0.268563
C 1.597136 1.124211 -0.121668
C -0.563165 3.767626 -0.017712
C 2.135006 0.336127 0.910654
C -2.701221 2.483612 -0.067070
C -3.322398 1.117617 -0.460042
C 1.250239 0.595808 -1.412816
C 2.006291 2.343728 1.699444
C 2.052507 -1.646449 -0.474268
C -2.552176 -0.088189 0.041980
C 2.840150 -1.866197 1.864722
C 1.269133 -1.436058 -2.819178
C -2.223124 -1.126827 -0.862214
C -2.139154 -0.201576 1.391748
C -1.473115 -2.235091 -0.429117
C -1.371171 -1.303136 1.823350
C -1.011280 -2.315148 0.910389
H 1.487501 4.505299 0.091162
H 1.142567 3.495050 -1.350062
H -0.746825 3.894270 1.068946
H -0.865697 4.732386 -0.503663
H -2.758756 2.587944 1.035320
H -3.363189 3.287354 -0.492035
H -1.072181 2.288228 -1.429676
H -3.376638 1.065426 -1.571519
H 2.071576 3.208858 2.355363
H 3.094032 -1.196702 2.699548
H 3.725667 -2.436357 1.540967
H 2.048921 -2.574311 2.163455
H 0.268621 -1.127636 -3.163226
H 1.334184 -2.524515 -2.683354
H 2.005452 -1.102699 -3.570701
H -2.560887 -1.067313 -1.906051
H -2.406887 0.579494 2.110020
H -5.203724 1.838659 -0.206580
H -1.027108 -1.388678 2.858511
H -1.406137 -3.205539 -2.177001
H 0.118949 -3.885516 0.539193


