%chk=000039615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039615

0 1
 O    2.131600       4.047600     -7.9899997E-02
 O  -0.2452000       3.791400     -0.3595000    
 O  -0.9353000      -2.775300      -1.479700    
 O    5.742200      -1.856300       1.291000    
 O    3.687400      -1.324500       2.100800    
 O   -5.678100      0.2883000       1.270600    
 N   0.3928000      -1.130400     -0.6697000    
 C    2.055200      0.3795000     -0.3728000    
 C   0.6620000      0.2369000     -0.5293000    
 C    2.617300     -0.9187000     -0.4153000    
 C    1.591500      -1.812800     -0.5891000    
 C    2.625100       1.663400     -0.2112000    
 C  -0.1923000       1.360500     -0.5397000    
 C    4.052400      -1.252300     -0.2899000    
 C    1.763400       2.743800     -0.2200000    
 C   0.4106000       2.596200     -0.3786000    
 C    1.707900      -3.287600     -0.6855000    
 C  -0.8722000      -1.738000     -0.8280000    
 C   -2.134100      -1.207300     -0.2770000    
 C   0.8523000       4.705600     -0.1671000    
 C    4.444300      -1.486800       1.152000    
 C   -2.117100     -0.4661000      0.9018000    
 C   -3.335700      -1.449000     -0.9383000    
 C   -3.309400      3.6499999E-02   1.422900    
 C   -4.528000     -0.9463000     -0.4172000    
 C   -4.514900     -0.2036000      0.7633000    
 C   -6.873800      5.2999998E-03  0.5454000    
 H    3.693900       1.800000     -8.4799998E-02
 H   -1.253700       1.299500     -0.7367000    
 H    4.669400     -0.4330000     -0.6762000    
 H    4.300300      -2.147900     -0.8693000    
 H    2.679300      -3.650000     -0.3361000    
 H   0.9562000      -3.786400     -6.4700000E-02
 H    1.586300      -3.616500      -1.722500    
 H   0.6828000       5.268400      0.7581000    
 H   0.8754000       5.408700      -1.007600    
 H   -1.204900     -0.3084000       1.470000    
 H   -3.365400      -2.020200      -1.862500    
 H   -3.294600      0.6047000       2.349000    
 H   -5.427500      -1.168500     -0.9810000    
 H    5.987100      -1.985700       2.232000    
 H   -7.700900      0.4709000       1.091400    
 H   -7.078800      -1.070100      0.5112000    
 H   -6.855500      0.4564000     -0.4525000    


%chk=000039615-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039615

0 1
O 2.242884 4.109004 -0.245990
O -0.103441 3.914191 -0.680861
O -0.943340 -2.680077 -1.910128
O 5.802704 -1.219531 1.523568
O 3.670631 -1.725914 2.292800
O -5.671582 0.106882 1.460047
N 0.363298 -1.127451 -0.738545
C 2.080491 0.360224 -0.369995
C 0.667126 0.260479 -0.596830
C 2.623344 -0.987730 -0.387263
C 1.580491 -1.874320 -0.632141
C 2.710311 1.629785 -0.214659
C -0.169891 1.399206 -0.728982
C 4.064541 -1.334021 -0.139728
C 1.871681 2.736727 -0.310540
C 0.480206 2.622610 -0.566662
C 1.604239 -3.373794 -0.691551
C -0.899767 -1.705775 -1.104217
C -2.125170 -1.159694 -0.458187
C 0.956732 4.847873 -0.222859
C 4.426296 -1.445746 1.341085
C -2.115666 -0.588569 0.847270
C -3.365608 -1.324356 -1.125947
C -3.312000 -0.185122 1.456543
C -4.572159 -0.907561 -0.533910
C -4.544709 -0.334968 0.766172
C -6.981021 -0.034646 0.811142
H 3.784123 1.734975 -0.041410
H -1.238156 1.346064 -0.938788
H 4.744522 -0.594563 -0.598677
H 4.325771 -2.306641 -0.599781
H 2.610595 -3.742550 -0.433805
H 0.893300 -3.818759 0.029183
H 1.322113 -3.749195 -1.689470
H 0.737156 5.159936 0.817029
H 1.015863 5.693563 -0.924153
H -1.170571 -0.479230 1.388051
H -3.366225 -1.792283 -2.116012
H -3.324263 0.242426 2.463160
H -5.513090 -1.034182 -1.076722
H 6.028002 -1.336354 2.486709
H -7.702170 0.369174 1.535961
H -7.211396 -1.097168 0.604888
H -7.026894 0.548980 -0.127996


