%chk=000068064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068064

0 1
 O    3.695000       1.252700      0.1492000    
 O    3.674100      -1.139600     -0.1365000    
 O    1.308400       2.833300      0.3394000    
 O    1.292600      -2.676600     -0.3187000    
 O   -1.323800      -2.530300     -0.3033000    
 N   -1.170600       1.490700      0.1781000    
 C   4.6399999E-02  0.7988000      9.5600002E-02
 C   4.5499999E-02 -0.6076000     -7.2499998E-02
 C    1.265500       1.485200      0.1775000    
 C    1.241900      -1.329900     -0.1589000    
 C    2.431000      0.7503000      8.9599997E-02
 C    2.419200     -0.6159000     -7.3600002E-02
 C   -2.423600      0.8692000      0.1038000    
 C   -2.511100     -0.5227000     -6.2500000E-02
 C   -1.258400      -1.316700     -0.1573000    
 C    4.476900      4.9800001E-02  5.5000000E-03
 C   -3.603000       1.616700      0.1927000    
 C   -3.754900      -1.156300     -0.1385000    
 C   -4.845900      0.9855000      0.1171000    
 C   -4.921100     -0.3972000     -4.8099998E-02
 C    1.963400       3.591600     -0.6780000    
 C    1.952400      -3.430900      0.6993000    
 H   -1.139500       2.494900      0.2972000    
 H    5.115500     -6.1500002E-02  0.8893000    
 H    5.115300      0.1499000     -0.8798000    
 H   -3.562900       2.695600      0.3215000    
 H   -3.836400      -2.231900     -0.2669000    
 H   -5.756800       1.573100      0.1871000    
 H   -5.890400     -0.8838000     -0.1065000    
 H    1.825600       3.144800      -1.668700    
 H    3.028000       3.689700     -0.4484000    
 H    1.523000       4.592800     -0.6883000    
 H    1.852700      -2.962000       1.684400    
 H    3.007400      -3.564200      0.4444000    
 H    1.485200      -4.419000      0.7415000    


%chk=000068064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068064

0 1
O 3.791204 1.422921 -0.204741
O 3.890256 -0.961858 -0.351570
O 1.056570 2.933328 0.044831
O 1.625638 -2.723621 -0.359945
O -1.257017 -2.716091 -0.058591
N -1.113599 1.432526 0.080148
C 0.088164 0.734998 -0.004275
C 0.118586 -0.702661 -0.046799
C 1.271300 1.546649 -0.049727
C 1.408981 -1.360692 -0.158466
C 2.486278 0.873877 -0.129226
C 2.539175 -0.538878 -0.191953
C -2.356945 0.810872 0.082359
C -2.410212 -0.613188 0.015281
C -1.172469 -1.438658 -0.034628
C 4.695431 0.238050 -0.067381
C -3.554384 1.577661 0.148503
C -3.681239 -1.248496 0.011068
C -4.795871 0.923476 0.142687
C -4.864937 -0.497190 0.072547
C 2.027295 3.819253 -0.632472
C 1.393716 -3.640324 0.781175
H -1.036298 2.452814 0.114741
H 5.064448 0.205935 0.976183
H 5.500161 0.320296 -0.812167
H -3.500094 2.671624 0.201522
H -3.691747 -2.342025 -0.040527
H -5.717936 1.513366 0.192275
H -5.838789 -0.997195 0.068155
H 2.065687 3.592063 -1.713822
H 3.031433 3.707356 -0.192452
H 1.645607 4.837862 -0.469093
H 0.314479 -3.700965 0.994313
H 1.969607 -3.301432 1.663926
H 1.774120 -4.613150 0.434820


