%chk=000041827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041827

0 1
 O    7.503600       1.590900     -0.1409000    
 O   -7.795400     -0.4284000      0.6846000    
 N   -7.863100       1.677900     -0.2937000    
 C    4.503500     -0.1828000      0.9981000    
 C    3.876900     -0.4008000     -0.2210000    
 C    5.726100      0.4878000       1.032200    
 C    4.448800      3.8600001E-02  -1.407000    
 C    6.310000      0.9337000     -0.1535000    
 C    5.671400      0.7092000      -1.373000    
 C    3.887500     -0.6566000       2.278900    
 C    2.584800      -1.108900     -0.2602000    
 C    6.419200      0.7341000       2.334500    
 C    3.796500     -0.1827000      -2.734300    
 C    1.385600     -0.5107000     -0.1549000    
 C   7.4299999E-02  -1.170600     -0.1807000    
 C    8.682300      0.7954000     -0.2508000    
 C   5.9799999E-02  -2.670300     -0.3432000    
 C   -1.029700     -0.4019000     -6.0199998E-02
 C   -2.415900     -0.8313000     -5.8699999E-02
 C   -4.869400     -0.2976000      7.8299999E-02
 C   -3.439700      3.0700000E-02  6.8999998E-02
 C   -5.750000      0.7139000      0.2179000    
 C   -5.248500      -1.752000     -3.5500001E-02
 C   -9.300100       1.775100     -0.4078000    
 C   -7.233800      0.5704000      0.2493000    
 C   -9.984700      0.5368000      0.1325000    
 H    6.134800       1.062600      -2.291100    
 H    3.211200      -1.505800       2.141000    
 H    4.642700      -1.020100       2.983700    
 H    3.326100      0.1576000       2.748700    
 H    2.675700      -2.184500     -0.3845000    
 H    5.719000       1.100000       3.093300    
 H    7.195000       1.503000       2.261200    
 H    6.893400     -0.1859000       2.691300    
 H    2.855500      0.3734000      -2.797500    
 H    3.603200      -1.248000      -2.899400    
 H    4.430700      0.1567000      -3.560900    
 H    1.371200      0.5723000     -3.3799998E-02
 H    9.549700       1.456700     -0.1742000    
 H    8.733100      5.7399999E-02  0.5559000    
 H    8.711800      0.2911000      -1.221800    
 H  -0.8981000      0.6753000      5.1199999E-02
 H   0.5968000      -3.150100      0.4828000    
 H  -0.9419000      -3.104300     -0.3568000    
 H   0.5371000      -2.957900      -1.286800    
 H   -2.612100      -1.891400     -0.1600000    
 H   -3.204600       1.090400      0.1717000    
 H   -5.390800       1.739600      0.2873000    
 H   -9.615800       2.667400      0.1414000    
 H   -9.538400       1.922900      -1.465700    
 H   -6.312500      -1.925300     -0.2009000    
 H   -4.751600      -2.213600     -0.8967000    
 H   -4.957000      -2.295800      0.8694000    
 H   -7.311500       2.457200     -0.6410000    
 H   -11.06770      0.6746000      1.6400000E-02
 H   -9.831800      0.3952000       1.207400    
 H   -9.752200     -0.3675000     -0.4398000    


%chk=000041827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041827

0 1
O 7.830076 1.000884 0.698664
O -7.975893 -0.590414 -0.792134
N -8.060794 1.397910 0.415320
C 4.238391 0.165917 1.062572
C 3.960448 -0.538779 -0.165713
C 5.536560 0.681963 1.327581
C 5.037942 -0.773261 -1.087013
C 6.570540 0.462170 0.373861
C 6.324101 -0.268980 -0.809920
C 3.180526 0.326098 2.144408
C 2.633382 -1.056154 -0.538057
C 5.851523 1.446456 2.602650
C 4.825754 -1.529951 -2.390266
C 1.388848 -0.538390 -0.238582
C 0.113773 -1.105121 -0.664373
C 8.925480 0.805573 -0.251992
C 0.116100 -2.390696 -1.472529
C -1.055199 -0.435520 -0.306752
C -2.413017 -0.808695 -0.614476
C -4.907979 -0.398781 -0.503062
C -3.514108 -0.067959 -0.219759
C -5.883704 0.463088 -0.027873
C -5.220403 -1.655456 -1.295975
C -9.528727 1.465113 0.409441
C -7.355130 0.347205 -0.182937
C -10.145077 1.208845 1.802548
H 7.125858 -0.445436 -1.533016
H 2.434276 -0.483272 2.100230
H 3.639634 0.314443 3.146985
H 2.634620 1.286667 2.054776
H 2.651932 -1.940544 -1.188610
H 5.091547 2.221499 2.808662
H 6.835614 1.931924 2.526251
H 5.879412 0.773904 3.482737
H 4.043502 -1.060987 -3.015355
H 4.515154 -2.578439 -2.214144
H 5.757027 -1.559378 -2.981033
H 1.320121 0.394207 0.335280
H 9.789450 1.317861 0.196714
H 9.157476 -0.269115 -0.384663
H 8.693113 1.258170 -1.235664
H -0.936457 0.489887 0.279284
H 0.596390 -3.211478 -0.906800
H -0.897343 -2.720397 -1.746319
H 0.690841 -2.263440 -2.410011
H -2.583856 -1.726408 -1.190465
H -3.336038 0.852984 0.357732
H -5.537118 1.344624 0.534486
H -9.850735 2.452650 0.024083
H -9.864052 0.693445 -0.304503
H -6.305707 -1.770937 -1.425351
H -4.740241 -1.611945 -2.292253
H -4.820209 -2.547713 -0.777662
H -7.540883 2.121181 0.915048
H -11.248227 1.260700 1.748602
H -9.805696 1.958419 2.542071
H -9.861817 0.206963 2.168975


