%chk=000153319.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153319

0 1
 O   0.3758000      -2.346300      0.5160000    
 O    2.094900       1.991300      0.4462000    
 O   -5.748500      -1.319800     -0.3299000    
 O   -4.410700      -3.038200     -5.3100001E-02
 N    1.299600     -0.2056000      0.4246000    
 N    5.632600     -0.5731000      3.9600000E-02
 N   -4.603400      -1.802900     -0.1579000    
 C    2.651000     -0.7412000      0.5506000    
 C   -1.286000      0.8166000      7.4100003E-02
 C    3.331200     -0.9386000     -0.8027000    
 C   -1.113300     -0.5700000      0.1866000    
 C  -0.2069000       1.708400      0.1492000    
 C   0.2407000      -1.131300      0.3878000    
 C    1.165500       1.192600      0.3502000    
 C    4.766000      -1.467400     -0.7183000    
 C   -2.592000       1.332800     -0.1189000    
 C   -2.210800      -1.436800      0.1104000    
 C  -0.4108000       3.089500      3.5799999E-02
 C   -3.681200      0.4514000     -0.1941000    
 C   -3.490600     -0.9239000     -7.9899997E-02
 C   -2.779600       2.718600     -0.2316000    
 C   -1.695500       3.590000     -0.1544000    
 C    5.696000      0.7445000     -0.5956000    
 C    6.976200      -1.140700      0.1654000    
 H    2.621300      -1.697200       1.086300    
 H    3.235300     -5.3300001E-02   1.172000    
 H    3.281000     -1.8400000E-02  -1.396400    
 H    2.743300      -1.667900      -1.376900    
 H    5.149400      -1.627500      -1.734600    
 H    4.736100      -2.450400     -0.2311000    
 H   -2.051300      -2.508600      0.1999000    
 H   0.4173000       3.790800      9.1700003E-02
 H   -4.677000      0.8662000     -0.3428000    
 H   -3.774300       3.133700     -0.3802000    
 H   -1.853300       4.661000     -0.2429000    
 H    4.748800       1.285500     -0.5159000    
 H    5.985600      0.6851000      -1.651200    
 H    6.430500       1.377900     -8.3499998E-02
 H    6.937900      -2.112100      0.6712000    
 H    7.611900     -0.4938000      0.7802000    
 H    7.460400      -1.277100     -0.8084000    


%chk=000153319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153319

0 1
O 0.438087 -2.413065 0.326163
O 2.202846 1.908924 0.106300
O -5.895945 -1.298620 -0.050998
O -4.489398 -3.084937 0.137378
N 1.310477 -0.244084 0.265210
N 5.636697 -0.565028 0.053432
N -4.718394 -1.820106 0.042058
C 2.692601 -0.791604 0.387856
C -1.331258 0.823881 0.033476
C 3.368639 -0.964093 -0.989257
C -1.144014 -0.592653 0.139658
C -0.206694 1.705243 0.027197
C 0.229584 -1.167926 0.248440
C 1.178230 1.163851 0.131259
C 4.831585 -1.432745 -0.839499
C -2.665750 1.367556 -0.071093
C -2.244510 -1.455880 0.141530
C -0.400923 3.091166 -0.079851
C -3.778212 0.473700 -0.065571
C -3.548627 -0.901142 0.038752
C -2.831126 2.788167 -0.176895
C -1.715664 3.632440 -0.180716
C 5.768185 0.823955 -0.438637
C 6.947967 -1.170131 0.362568
H 2.612112 -1.763574 0.900109
H 3.286541 -0.099783 1.004623
H 3.326028 -0.007818 -1.541361
H 2.819938 -1.716975 -1.586013
H 5.285738 -1.507696 -1.863197
H 4.842506 -2.453108 -0.408384
H -2.098806 -2.536637 0.221475
H 0.480976 3.740147 -0.082861
H -4.804837 0.844698 -0.141433
H -3.842827 3.201683 -0.254774
H -1.847687 4.715738 -0.261355
H 4.780009 1.311621 -0.489976
H 6.249820 0.884943 -1.448277
H 6.387341 1.402130 0.270156
H 6.801851 -2.171044 0.807255
H 7.482351 -0.543172 1.098579
H 7.607663 -1.284222 -0.535825


