%chk=000052016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052016

1 1
 O   0.5355000      0.2468000     -0.2249000    
 O  -0.7695000     -0.5704000       1.488300    
 N    4.133700     -0.5004000      0.2571000    
 C    2.930000      6.3100003E-02 -0.4045000    
 C    5.393700     -0.2175000     -0.5720000    
 C    4.002400      -2.020500      0.4228000    
 C    4.329300      0.1166000       1.648700    
 C    1.704000     -0.2623000      0.4260000    
 C    5.590100       1.278500     -0.6851000    
 C    3.808100      -2.655100     -0.9369000    
 C   -1.791300      0.6239000     -0.3857000    
 C   -1.953000       2.111600     -8.3999997E-03
 C  -0.6474000      2.0099999E-02  0.4231000    
 C   -3.065000     -0.1952000     -0.2439000    
 C  -0.8456000       2.996900     -0.5895000    
 C   -3.326000      -1.238100      -1.132900    
 C   -3.971800      9.5799997E-02  0.7754000    
 C   -1.023100       4.450000     -0.1765000    
 C   -4.493900      -1.989500      -1.002900    
 C   -5.139600     -0.6559000      0.9053000    
 C   -5.400600      -1.698500      1.6200000E-02
 H    2.849200     -0.2796000      -1.440900    
 H    3.012700       1.154500     -0.4491000    
 H    6.246700     -0.6998000     -8.2300000E-02
 H    5.263100     -0.6221000      -1.578200    
 H    4.937800      -2.375300      0.8732000    
 H    3.201100      -2.260300       1.126200    
 H    5.354200     -8.1799999E-02   1.978200    
 H    3.639000     -0.3598000       2.351300    
 H    4.129500       1.190800       1.607400    
 H    1.751500      0.1970000       1.418300    
 H    1.542900      -1.337300      0.5296000    
 H    6.516500       1.462100      -1.243400    
 H    5.718800       1.782900      0.2754000    
 H    4.802700       1.779400      -1.253600    
 H    2.889200      -2.350800      -1.442800    
 H    4.655400      -2.534300      -1.614500    
 H    3.712700      -3.738600     -0.7908000    
 H   -1.512100      0.5738000      -1.448100    
 H   -1.961200       2.228700       1.083200    
 H   -2.915700       2.486200     -0.3803000    
 H  -0.8468000       2.927400      -1.683200    
 H   0.1383000       2.670400     -0.2407000    
 H   -2.626900      -1.477500      -1.929700    
 H   -3.790000      0.8905000       1.492400    
 H   -1.981200       4.844000     -0.5304000    
 H  -0.2248000       5.065500     -0.6029000    
 H  -0.9887000       4.555800      0.9125000    
 H   -4.696800      -2.802000      -1.694500    
 H   -5.844100     -0.4320000       1.701000    
 H   -6.309400      -2.284400      0.1182000    


%chk=000052016-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052016

1 1
O 0.726623 0.788031 -0.136792
O -0.427984 0.997076 1.871770
N 4.174443 -0.746636 0.103475
C 2.824779 -0.219140 -0.422099
C 4.977442 -1.355046 -1.083978
C 3.980604 -1.847491 1.190101
C 4.977784 0.387400 0.739734
C 1.876490 0.314736 0.660390
C 5.404249 -0.362734 -2.171787
C 3.167780 -3.071011 0.755998
C -1.607641 1.438158 -0.283451
C -2.504847 2.534764 0.357403
C -0.443687 1.086217 0.629001
C -2.392086 0.148571 -0.591444
C -1.797220 3.898456 0.522686
C -2.613392 -0.240945 -1.935437
C -2.937473 -0.637773 0.456156
C -2.739847 4.973163 1.105605
C -3.377071 -1.393125 -2.231528
C -3.696048 -1.791623 0.159757
C -3.919491 -2.172551 -1.184220
H 2.335561 -1.039522 -0.970998
H 3.051138 0.586894 -1.137457
H 5.859695 -1.837497 -0.627006
H 4.335247 -2.141057 -1.512475
H 5.001398 -2.138330 1.494903
H 3.503049 -1.347583 2.049211
H 6.004386 0.036174 0.926481
H 4.511326 0.674226 1.693253
H 4.996052 1.253415 0.063535
H 2.296976 1.160397 1.234515
H 1.536074 -0.458525 1.372069
H 5.954893 -0.934333 -2.939842
H 6.090319 0.417377 -1.804010
H 4.552640 0.114517 -2.684140
H 2.134987 -2.820402 0.461717
H 3.644862 -3.646249 -0.053832
H 3.095517 -3.746353 1.626785
H -1.182088 1.820005 -1.229501
H -2.864914 2.179988 1.341769
H -3.396685 2.652457 -0.287155
H -1.413747 4.237603 -0.461705
H -0.917750 3.784139 1.188402
H -2.201141 0.364654 -2.751853
H -2.774049 -0.347552 1.500997
H -3.616681 5.130170 0.450563
H -2.223852 5.943655 1.215853
H -3.113843 4.674513 2.102271
H -3.553474 -1.677097 -3.274754
H -4.119974 -2.388376 0.974807
H -4.515730 -3.062504 -1.412541


