%chk=000065508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065508

0 1
 O  -0.3715000       2.688600       1.103700    
 O   -2.474900       2.082100      0.8549000    
 N    2.010000     -0.6341000     -0.1280000    
 N   -1.279500       2.070900      0.5311000    
 N    5.624100      0.2635000     -0.2342000    
 C   -1.252400     -0.1492000     -0.3217000    
 C  -0.3673000     -0.9500000      0.4003000    
 C  -0.9095000       1.264900     -0.6580000    
 C   0.9512000     -0.4187000      0.8585000    
 C   -2.478300     -0.6667000     -0.7404000    
 C  -0.7083000      -2.268300      0.7033000    
 C    3.274100     -9.5500000E-02  0.3485000    
 C   -1.624400       1.875500      -1.860400    
 C   -2.819200      -1.984800     -0.4373000    
 C   -1.934200      -2.785500      0.2846000    
 C    4.360100     -0.2926000     -0.7049000    
 H   0.1642000       1.388900     -0.8344000    
 H   0.8985000      0.6299000       1.150700    
 H    1.222800     -0.9383000       1.788800    
 H    2.112000      -1.632500     -0.3103000    
 H   -3.202700     -7.9800002E-02  -1.294700    
 H  -2.8500000E-02  -2.905700       1.262900    
 H    3.569700     -0.5924000       1.281400    
 H    3.168700      0.9764000      0.5588000    
 H   -2.707200       1.981400      -1.730100    
 H   -1.239100       2.883800      -2.056500    
 H   -1.448600       1.278500      -2.762500    
 H   -3.774500      -2.387600     -0.7610000    
 H   -2.199700      -3.811900      0.5205000    
 H    4.079400      0.2063000      -1.639300    
 H    4.494700      -1.358300     -0.9234000    
 H    6.351200      8.1000000E-02 -0.9247000    
 H    5.913400     -0.2145000      0.6182000    


%chk=000065508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065508

0 1
O -0.579503 2.255463 1.506688
O -2.273159 2.825831 0.095538
N 1.899162 -0.524153 -0.047101
N -1.220895 2.151834 0.393565
N 5.513762 0.530000 -0.371702
C -1.228852 -0.261164 -0.237920
C -0.442293 -1.152579 0.553660
C -0.676615 1.110383 -0.633776
C 0.946106 -0.779921 1.064598
C -2.531995 -0.646200 -0.637792
C -0.984821 -2.414619 0.897694
C 3.251303 -0.111391 0.393660
C -1.003999 1.571403 -2.058003
C -3.062614 -1.903888 -0.277693
C -2.282706 -2.796041 0.490040
C 4.155455 0.182636 -0.819714
H 0.415348 1.101354 -0.469965
H 0.883074 0.149810 1.663231
H 1.301436 -1.582384 1.754001
H 1.936483 -1.323749 -0.696171
H -3.144521 0.046046 -1.225023
H -0.382151 -3.102988 1.502576
H 3.744193 -0.881408 1.040868
H 3.164007 0.806535 1.002613
H -2.086639 1.689879 -2.220602
H -0.522548 2.541051 -2.272407
H -0.613998 0.822745 -2.768983
H -4.074575 -2.182194 -0.591240
H -2.682051 -3.775903 0.773956
H 3.733398 1.043022 -1.369637
H 4.116141 -0.693716 -1.517081
H 6.080409 1.041925 -1.051116
H 6.027959 -0.232318 0.077639


