%chk=000157254.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157254

0 1
 O   0.9890000       2.606100      -2.374100    
 O    1.799800       4.486700     -0.4363000    
 O  -0.6127000       4.247800       1.260000    
 O    4.560600      -2.117200      -2.210700    
 N    1.544000      0.2589000      0.3627000    
 N    3.539300     -0.2996000       1.300900    
 N    3.012700     -0.9307000     -0.9758000    
 N    6.333000      -2.001900      0.2208000    
 N    5.717700     -0.9908000       2.117700    
 C   0.7973000      0.8770000     -0.7165000    
 C    1.459800       2.209900      -1.082700    
 C  -0.6724000       1.000300     -0.3203000    
 C    1.140000       3.281600     -4.7699999E-02
 C  -0.3652000       3.527500      4.8999999E-02
 C   -1.197600       2.260300      4.6900000E-02
 C   -1.519800     -0.1564000     -0.3111000    
 C   -2.887300     -1.4000000E-02  4.1499998E-02
 C   -2.559200       2.367900      0.3711000    
 C   -3.404100       1.255100      0.3787000    
 C   -3.760600      -1.137900      5.7700001E-02
 C   -1.077200      -1.458200     -0.6384000    
 C   -3.273900      -2.420400     -0.2758000    
 C   -5.124400     -0.9833000      0.4065000    
 C   -4.756700       1.391600      0.7190000    
 C   -1.930500      -2.564300     -0.6211000    
 C    2.722200     -0.3560000      0.1734000    
 C   -5.606400      0.2873000      0.7336000    
 C   -4.141300      -3.522800     -0.2562000    
 C   -5.970400      -2.102100      0.4180000    
 C   -5.480800      -3.363500      8.9000002E-02
 C    4.735900     -0.8984000       1.177800    
 C    5.079000      -1.508900     -1.3000000E-03
 C    4.237100      -1.566900      -1.164800    
 C    6.673100      -1.664900       1.508300    
 H   0.8282000      0.2528000      -1.619500    
 H    2.546100       2.105900      -1.184600    
 H    1.548700       3.004400      0.9313000    
 H  -0.7062000       4.165600     -0.7762000    
 H   -2.967000       3.346900      0.6224000    
 H    1.309800      0.5709000       1.301900    
 H  -4.3699998E-02  -1.647300     -0.9174000    
 H   1.7899999E-02   2.607000      -2.374000    
 H    1.480000       4.729200      -1.322200    
 H   -5.166300       2.365700      0.9801000    
 H  -9.4300002E-02   5.069800       1.220400    
 H   -1.525500      -3.539700     -0.8831000    
 H   -6.650100      0.4333000       1.004300    
 H   -3.780100      -4.517000     -0.5106000    
 H   -7.020500      -2.000500      0.6837000    
 H   -6.144300      -4.223300      0.1010000    
 H    3.229100      0.1701000       2.145100    
 H    6.905600      -2.517200     -0.4347000    
 H    7.626900      -1.941000       1.935100    


%chk=000157254-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157254

0 1
O 0.925498 3.114961 -2.572438
O 1.421050 5.180432 -0.616530
O -1.063884 4.763884 0.928939
O 4.003042 -2.280890 -2.252034
N 1.700183 0.887367 0.382540
N 3.355955 -0.436365 1.429225
N 2.850288 -0.692400 -0.927302
N 5.557365 -2.985881 0.353004
N 5.133098 -1.936866 2.331484
C 0.897545 1.364356 -0.771117
C 1.386334 2.767023 -1.208344
C -0.592456 1.336408 -0.410156
C 0.913325 3.854732 -0.233242
C -0.623637 3.899585 -0.175402
C -1.274055 2.528632 -0.030297
C -1.285325 0.079990 -0.373056
C -2.657501 0.035750 0.073328
C -2.610905 2.475094 0.420406
C -3.317433 1.251118 0.487233
C -3.373149 -1.210707 0.115969
C -0.657317 -1.166459 -0.771166
C -2.725636 -2.430703 -0.295839
C -4.742777 -1.247837 0.570086
C -4.689369 1.186985 0.946777
C -1.352278 -2.362725 -0.739248
C 2.653189 -0.109495 0.257007
C -5.374500 -0.012671 0.985237
C -3.450131 -3.653356 -0.253836
C -5.430416 -2.490588 0.598906
C -4.788945 -3.679822 0.188924
C 4.317101 -1.437332 1.326433
C 4.546534 -2.055786 0.089187
C 3.815472 -1.717587 -1.131064
C 5.878103 -2.881786 1.697454
H 1.133913 0.671872 -1.598878
H 2.485911 2.768479 -1.283017
H 1.318964 3.679970 0.779360
H -0.967038 4.350435 -1.136165
H -3.092917 3.406341 0.734415
H 1.400544 1.183685 1.313021
H 0.383325 -1.168086 -1.112443
H 0.012294 2.753537 -2.716075
H 1.341804 5.236641 -1.607370
H -5.175071 2.117495 1.261876
H -0.569860 5.620305 0.827750
H -0.858989 -3.288384 -1.058302
H -6.413890 -0.049160 1.332043
H -2.955619 -4.578954 -0.570253
H -6.470548 -2.517860 0.944119
H -5.334830 -4.628975 0.215616
H 3.212004 0.041825 2.320502
H 5.961296 -3.611202 -0.344501
H 6.638639 -3.489626 2.180033


