%chk=000169486.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169486

0 1
 O  -0.1901000       2.806800      0.6771000    
 O    1.336200     -0.9641000      -1.699900    
 O   -7.318000      -1.420900     -0.3530000    
 N  -0.7763000     -0.1800000      -1.013900    
 N    3.366400      0.8555000     -0.8443000    
 C   -1.402300      0.9345000     -0.3048000    
 C   -2.158600      0.4721000      0.9227000    
 C  -0.1848000       1.757500      5.5500001E-02
 C    1.020300       1.079900     -0.4673000    
 C   0.6092000     -0.1592000      -1.148100    
 C   -3.538300     -3.4200002E-02  0.5813000    
 C    2.272300       1.516500     -0.3434000    
 C   -4.604600      0.8512000      0.5732000    
 C   -3.715200      -1.376100      0.2820000    
 C    2.574900       2.805800      0.3787000    
 C   -5.880100      0.3831000      0.2579000    
 C   -4.990700      -1.844300     -3.3500001E-02
 C    4.150700     -0.1107000     -0.2147000    
 C   -6.073200     -0.9647000     -4.5600001E-02
 C    5.242200     -0.6884000     -0.8804000    
 C    3.861200     -0.5215000       1.095000    
 C    6.026000      -1.655300     -0.2509000    
 C    4.645200      -1.488400       1.724600    
 C    5.727700      -2.055200       1.051600    
 H   -2.014000       1.490800      -1.022600    
 H   -2.260900       1.298000       1.639700    
 H   -1.601900     -0.3055000       1.463700    
 H   -1.331700     -0.9213000      -1.429500    
 H   -4.464000       1.903000      0.8057000    
 H   -2.879600      -2.070000      0.2906000    
 H    3.821400       1.329500      -1.619000    
 H    2.270800       2.751700       1.429300    
 H    2.088600       3.656900     -0.1091000    
 H    3.650900       3.017600      0.3740000    
 H   -6.715000       1.078700      0.2515000    
 H   -5.134900      -2.895300     -0.2684000    
 H    5.486900     -0.3879000      -1.896500    
 H    3.026800     -0.1021000       1.651300    
 H    6.868600      -2.096900     -0.7748000    
 H    4.413400      -1.800000       2.738900    
 H    6.338000      -2.808000       1.541800    
 H   -7.944700     -0.6781000     -0.3131000    


%chk=000169486-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169486

0 1
O -0.155099 3.290596 0.618753
O 1.513072 -0.721713 -1.532704
O -6.701031 -2.268813 -0.249624
N -0.605039 0.057547 -0.836985
N 3.660805 1.230700 -0.275072
C -1.236259 1.234950 -0.234358
C -2.077938 0.935763 1.042713
C -0.020471 2.146515 0.078256
C 1.192981 1.422457 -0.302820
C 0.789081 0.133148 -0.940479
C -3.315317 0.109540 0.735209
C 2.490528 1.951845 -0.196722
C -4.527180 0.732068 0.341961
C -3.281636 -1.310150 0.786859
C 2.688313 3.440619 0.018687
C -5.669151 -0.028389 0.008506
C -4.411055 -2.086362 0.456605
C 3.945748 -0.156085 -0.041576
C -5.606529 -1.441884 0.065023
C 5.093652 -0.706606 -0.661968
C 3.198183 -0.928632 0.879817
C 5.483188 -2.031310 -0.373471
C 3.594230 -2.251055 1.159589
C 4.734607 -2.811170 0.537198
H -1.888627 1.757251 -0.964979
H -2.346156 1.915674 1.479837
H -1.426902 0.412672 1.767598
H -1.127172 -0.685258 -1.302453
H -4.583465 1.826880 0.303725
H -2.358717 -1.813964 1.098344
H 4.499698 1.800266 -0.421550
H 2.230032 3.744240 0.976727
H 2.164004 4.028639 -0.752724
H 3.759117 3.713967 0.028646
H -6.599374 0.475065 -0.286549
H -4.388364 -3.179256 0.500445
H 5.662981 -0.109969 -1.385254
H 2.322068 -0.498511 1.373581
H 6.365608 -2.454604 -0.865463
H 3.010208 -2.846853 1.869507
H 5.034188 -3.841053 0.758213
H -7.488009 -1.727761 -0.507750


