%chk=000058743.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058743

1 1
 O    1.657400      0.4937000      0.6517000    
 O   0.7350000       1.961700     -0.8808000    
 N    1.968600      -2.166700     -0.2684000    
 N    2.810800       2.455800      4.4599999E-02
 C   -3.957500      0.6870000     -0.1308000    
 C   -3.180600     -1.1700000E-02   1.020800    
 C   0.6725000      -1.611200      6.0500000E-02
 C   -1.820800     -0.5761000      0.6814000    
 C   -3.135900       1.913800     -0.5780000    
 C   -4.132200     -0.2427000      -1.343800    
 C   -5.339900       1.177300      0.3327000    
 C   0.5559000     -0.2963000      0.5114000    
 C  -0.6997000      0.2250000      0.8240000    
 C    1.855500      -3.641200     -0.7478000    
 C    2.932800      -2.134400      0.9506000    
 C    2.733500      -1.426600      -1.409600    
 C  -0.4663000      -2.404800     -7.7799998E-02
 C   -1.721700      -1.883600      0.2349000    
 C    1.664100       1.672600     -0.1275000    
 C    2.962800       3.702500     -0.6918000    
 C    3.905700       2.105700      0.9436000    
 H   -3.072600      0.6844000       1.864900    
 H   -3.800900     -0.8274000       1.419500    
 H   -2.196400       1.632100      -1.063600    
 H   -3.696500       2.509100      -1.308900    
 H   -2.905400       2.571700      0.2676000    
 H   -3.175800     -0.5065000      -1.806900    
 H   -4.641300      -1.169400      -1.056800    
 H   -4.737900      0.2382000      -2.120900    
 H   -5.872800       1.697600     -0.4709000    
 H   -5.962400      0.3360000      0.6571000    
 H   -5.248800       1.869400       1.177200    
 H  -0.7939000       1.240500       1.199900    
 H    1.444300      -4.251000      6.3199997E-02
 H    2.867300      -4.002500     -0.9634000    
 H    1.268000      -3.676900      -1.671000    
 H    3.819600      -2.723200      0.6946000    
 H    3.237600      -1.112500       1.174300    
 H    2.415400      -2.590500       1.800400    
 H    3.063400     -0.4477000      -1.063200    
 H    2.052400      -1.336300      -2.260900    
 H    3.610100      -2.023300      -1.680700    
 H  -0.4696000      -3.432300     -0.4211000    
 H   -2.602200      -2.510200      0.1265000    
 H    2.111900       3.888100      -1.352000    
 H    3.874600       3.646900      -1.293300    
 H    3.044400       4.526300      2.3100000E-02
 H    4.078000       2.939900       1.629900    
 H    4.804800       1.933400      0.3449000    
 H    3.690900       1.210800       1.528900    


%chk=000058743-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058743

1 1
O 1.850316 0.400831 0.421491
O 1.213420 1.696219 -1.459898
N 2.046551 -2.379329 -0.440891
N 2.685299 2.568949 0.164834
C -3.853733 0.791325 -0.126419
C -3.090582 0.105963 1.073651
C 0.726281 -1.754163 -0.005132
C -1.768149 -0.543684 0.720894
C -3.024521 1.964665 -0.710362
C -4.159176 -0.240358 -1.242598
C -5.189245 1.339852 0.444668
C 0.665370 -0.380343 0.354348
C -0.564104 0.200210 0.716072
C 1.912104 -3.869157 -0.757082
C 3.094810 -2.246627 0.678022
C 2.545073 -1.686722 -1.722673
C -0.461894 -2.517465 0.025402
C -1.686374 -1.919167 0.381787
C 1.860597 1.637188 -0.389944
C 2.938746 3.819513 -0.586723
C 3.358335 2.438629 1.472412
H -2.930391 0.879745 1.849216
H -3.767545 -0.654667 1.507624
H -2.069668 1.624642 -1.151591
H -3.595886 2.470960 -1.509723
H -2.800085 2.721559 0.066028
H -3.234395 -0.628813 -1.707671
H -4.739294 -1.097636 -0.850481
H -4.760880 0.230653 -2.041110
H -5.771512 1.841546 -0.349425
H -5.814678 0.526407 0.858062
H -5.011663 2.077224 1.249977
H -0.574787 1.259023 0.995572
H 1.571787 -4.409378 0.137752
H 2.905753 -4.237071 -1.054126
H 1.206408 -4.010874 -1.587816
H 4.031638 -2.712608 0.334661
H 3.243379 -1.181134 0.892055
H 2.712222 -2.764874 1.570007
H 2.677639 -0.617291 -1.526367
H 1.785792 -1.824403 -2.506181
H 3.499538 -2.149054 -2.019436
H -0.464886 -3.579770 -0.226820
H -2.593405 -2.531529 0.395317
H 2.412050 3.780306 -1.550903
H 4.022555 3.939808 -0.764383
H 2.573030 4.687716 -0.009730
H 3.180846 3.353445 2.065696
H 4.449657 2.319319 1.337415
H 2.963858 1.574923 2.022821


