%chk=000039321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039321

0 1
 O    3.523700      -2.936400      0.9425000    
 O  -0.7248000     -0.7278000     -0.6831000    
 O    2.009800       3.165700      0.1769000    
 N    2.115600     -0.8569000     -0.3971000    
 C    1.984600      0.5155000     -0.8822000    
 C    2.236800     -0.8833000       1.067200    
 C    3.275700      -1.518500      -1.010200    
 C   0.7755000       1.172000     -0.3076000    
 C  -0.4625000      0.5346000     -0.2439000    
 C    2.385100      -2.323700       1.549000    
 C    3.398400      -2.944100     -0.4800000    
 C   -1.611900       1.113300      0.2853000    
 C   0.8333000       2.472900      0.2000000    
 C   -2.639600      0.1335000      0.1572000    
 C   -2.042700     -0.9720000     -0.4408000    
 C   -1.529200       2.424000      0.7903000    
 C  -0.2972000       3.090200      0.7401000    
 C   -4.007000      6.1799999E-02  0.4812000    
 C   -2.714500      -2.155500     -0.7423000    
 C   -4.709000      -1.115500      0.1896000    
 C   -4.071700      -2.203300     -0.4113000    
 C    2.271600       3.953600     -0.9810000    
 H    1.872800      0.5170000      -1.974200    
 H    2.899800       1.075600     -0.6560000    
 H    1.362200     -0.4644000       1.574000    
 H    3.115800     -0.3058000       1.383800    
 H    4.195800     -0.9650000     -0.7815000    
 H    3.161700      -1.553100      -2.099700    
 H    2.537700      -2.340700       2.632900    
 H    1.489100      -2.917500       1.330600    
 H    2.536700      -3.558600     -0.7683000    
 H    4.295500      -3.418600     -0.8905000    
 H   -2.398800       2.917700       1.213400    
 H  -0.2295000       4.102900       1.131000    
 H   -4.516900      0.8987000      0.9488000    
 H   -2.213200      -2.995300      -1.208600    
 H   -5.765700      -1.181800      0.4356000    
 H   -4.641100      -3.104300     -0.6259000    
 H    2.257300       3.338100      -1.886000    
 H    3.265900       4.396300     -0.8764000    
 H    1.537200       4.760800      -1.066400    


%chk=000039321-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039321

0 1
O 4.324154 -2.511821 1.071144
O -1.098254 -0.949930 -1.027599
O 2.084380 2.656250 -0.246835
N 2.278768 -0.999380 -0.328358
C 1.722852 0.012168 -1.272373
C 3.059856 -0.392565 0.778760
C 3.085739 -2.029391 -1.029563
C 0.603339 0.825505 -0.649016
C -0.702903 0.325499 -0.547004
C 3.514657 -1.487458 1.755240
C 3.539290 -3.102928 -0.026273
C -1.808962 1.022794 0.023845
C 0.778082 2.144545 -0.135117
C -2.962905 0.134962 -0.097385
C -2.486981 -1.045386 -0.741244
C -1.589183 2.320061 0.531572
C -0.296539 2.878005 0.448287
C -4.328876 0.209980 0.260356
C -3.294291 -2.147218 -1.044906
C -5.167072 -0.889118 -0.034885
C -4.658483 -2.050720 -0.677927
C 2.330370 4.022646 0.218443
H 1.312543 -0.546388 -2.133973
H 2.512864 0.700920 -1.650935
H 2.423102 0.335722 1.312334
H 3.954774 0.157183 0.391877
H 3.989483 -1.587660 -1.523415
H 2.462168 -2.500129 -1.813674
H 4.168074 -1.074447 2.541856
H 2.624131 -1.964430 2.218599
H 2.646438 -3.618530 0.388512
H 4.207691 -3.838725 -0.503898
H -2.404537 2.895901 0.981288
H -0.126712 3.885446 0.837590
H -4.733697 1.098639 0.756248
H -2.887436 -3.033812 -1.538609
H -6.227680 -0.848362 0.235701
H -5.332038 -2.887055 -0.893557
H 1.710423 4.754233 -0.334835
H 3.394866 4.206339 0.011210
H 2.140803 4.120753 1.304917


