%chk=000142976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142976

0 1
 O   -1.331600     -0.5243000      -2.197100    
 O    1.333000      0.5238000      -2.197900    
 N   -3.068300     -0.4429000     -0.6186000    
 N    3.069200      0.4425000     -0.6187000    
 C   -3.573800     -0.8178000      0.7200000    
 C    3.574000      0.8176000      0.7201000    
 C   -4.621400      0.1580000       1.249300    
 C    4.621300     -0.1583000       1.250000    
 C   -5.745200      0.3577000      0.2378000    
 C    5.745500     -0.3581000      0.2389000    
 C  -9.1000004E-03 -0.7247000      0.6965000    
 C   7.8999996E-03  0.7254000      0.6964000    
 C  -0.8597000      -1.438900     -0.1457000    
 C   0.8602000       1.438600     -0.1467000    
 C   -1.777400     -0.7597000      -1.074000    
 C    1.778300      0.7593000      -1.074700    
 C   -3.950900      0.1937000      -1.483800    
 C    3.952200     -0.1942000      -1.483300    
 C   -5.196200      0.5501000      -1.141000    
 C    5.197200     -0.5505000      -1.140100    
 C   0.8473000      -1.406300       1.561200    
 C  -0.8489000       1.407000       1.560700    
 C  -0.8562000      -2.832700     -0.1258000    
 C   0.8554000       2.833300     -0.1255000    
 C   0.8518000      -2.801100       1.582400    
 C  -0.8534000       2.801800       1.581900    
 C   9.9999997E-05  -3.514200      0.7390000    
 C  -1.3000000E-03   3.514900      0.7389000    
 H   -2.760500     -0.9046000       1.442400    
 H   -4.010500      -1.819700      0.6177000    
 H    2.760300      0.9043000       1.442100    
 H    4.010600       1.819500      0.6180000    
 H   -4.142500       1.124900       1.451800    
 H   -5.030000     -0.2022000       2.199800    
 H    4.142300      -1.125200       1.452300    
 H    5.029500      0.2019000       2.200600    
 H   -6.337300       1.233600      0.5253000    
 H   -6.418600     -0.5069000      0.2364000    
 H    6.337500      -1.234000      0.5268000    
 H    6.419000      0.5066000      0.2379000    
 H   -3.595200      0.3892000      -2.489700    
 H    3.596800     -0.3897000      -2.489500    
 H   -5.840300       1.013500      -1.882400    
 H    5.841700      -1.013900      -1.881200    
 H    1.506600     -0.8731000       2.240400    
 H   -1.508500      0.8738000       2.239700    
 H   -1.515500      -3.399700     -0.7781000    
 H    1.514900       3.400500     -0.7774000    
 H    1.516000      -3.331700       2.258300    
 H   -1.517900       3.332300       2.257500    
 H   3.0000000E-03  -4.600100      0.7564000    
 H  -4.3000001E-03   4.600700      0.7561000    


%chk=000142976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000142976

0 1
O -2.182154 0.150188 -2.077100
O 2.182588 -0.149893 -2.076891
N -3.712593 -0.451243 -0.417589
N 3.712589 0.451173 -0.416851
C -4.040352 -1.036044 0.909587
C 4.040036 1.035764 0.910500
C -5.052331 -0.142374 1.661119
C 5.051703 0.141893 1.662208
C -6.351059 0.029907 0.838209
C 6.350644 -0.030441 0.839647
C -0.126470 -0.737283 0.134382
C 0.126480 0.737724 0.134280
C -1.365995 -1.296287 -0.302343
C 1.366086 1.296624 -0.302325
C -2.423141 -0.462256 -0.994833
C 2.423323 0.462445 -0.994508
C -4.777609 0.152729 -1.136768
C 4.777739 -0.152851 -1.135788
C -6.017394 0.349437 -0.607385
C 6.017348 -0.349772 -0.606073
C 0.864795 -1.620775 0.637926
C -0.864823 1.621318 0.637578
C -1.566425 -2.699063 -0.243937
C 1.566564 2.699405 -0.244060
C 0.661324 -3.014079 0.688540
C -0.661314 3.014621 0.688025
C -0.561774 -3.561214 0.240678
C 0.561862 3.561660 0.240254
H -3.110317 -1.151904 1.488668
H -4.475852 -2.046049 0.768102
H 3.109858 1.151631 1.489348
H 4.475675 2.045746 0.769277
H -4.594959 0.849545 1.840570
H -5.265966 -0.593700 2.647553
H 4.594159 -0.849991 1.841416
H 5.265114 0.593079 2.648755
H -6.968930 0.839770 1.272341
H -6.969483 -0.890318 0.900215
H 6.968289 -0.840432 1.273862
H 6.969165 0.889700 0.901935
H -4.508042 0.443653 -2.155165
H 4.508429 -0.443624 -2.154296
H -6.792071 0.781736 -1.249378
H 6.792154 -0.782100 -1.247892
H 1.808521 -1.204774 1.006909
H -1.808591 1.205393 1.006529
H -2.510616 -3.117517 -0.612011
H 2.510821 3.117778 -0.612059
H 1.451859 -3.667305 1.073404
H -1.451874 3.667925 1.072707
H -0.729213 -4.643316 0.262346
H 0.729326 4.643761 0.261787


