%chk=000133352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133352

0 1
 O    3.017500      5.0099999E-02   1.679100    
 O   -2.277700      0.3597000      -1.972200    
 O    2.343900      -3.239900     -0.3778000    
 O    3.658800     -2.6000001E-02  -2.195800    
 O   -3.971600     -0.4810000      -3.258000    
 O   -1.980800      -3.929600       2.284500    
 O   -1.009800      -2.051600       3.117700    
 N    1.299200       2.113700      0.6860000    
 N    2.523800     -0.9231000     -0.3777000    
 N    1.809100     -0.8435000      -3.934400    
 C    2.380700       1.500300     -8.5100003E-02
 C    3.557400       2.462100      9.3800001E-02
 C    3.307700       3.080900       1.461000    
 C    1.788700       3.215000       1.516000    
 C  -4.0800001E-02   1.807300      0.5460000    
 C    2.714100      0.1587000      0.4897000    
 C  -0.5073000       1.237400     -0.6338000    
 C  -0.9296000       2.068400       1.587500    
 C   -1.865100      0.9359000     -0.7540000    
 C   -2.778100       1.186000      0.2715000    
 C   -2.288100       1.760400       1.452100    
 C    2.056100      -2.149100      0.1174000    
 C    2.799600     -0.7863000      -1.743500    
 C   -4.189000      0.8363000      5.8499999E-02
 C    1.029300      -2.025400       1.238800    
 C    1.880300      -1.560200      -2.670000    
 C   -4.552900      0.2897000      -1.110300    
 C   4.1800000E-02  -3.185500       1.261400    
 C   -3.601700      1.9300001E-02  -2.201500    
 C   -5.195300       1.093000       1.141800    
 C   -1.020200      -2.972700       2.311500    
 H    2.134000       1.481800      -1.146300    
 H    4.536600       1.977000      3.1900000E-02
 H    3.517300       3.246400     -0.6725000    
 H    3.810100       4.045400       1.580900    
 H    3.664700       2.421100       2.259300    
 H    1.470300       4.173400       1.090200    
 H    1.456200       3.155600       2.556600    
 H   0.1390000       1.024200      -1.477800    
 H  -0.6037000       2.499900       2.529000    
 H   -2.945900       1.977500       2.289600    
 H   0.4746000      -1.088400       1.130100    
 H    1.571400      -1.989700       2.190800    
 H   0.8756000      -1.635200      -2.243800    
 H    2.287600      -2.561600      -2.834800    
 H   -5.586800      1.8900000E-02  -1.301900    
 H  -0.4497000      -3.273000      0.2858000    
 H   0.5615000      -4.124900       1.479000    
 H   -5.243100       2.160200       1.383600    
 H   -4.941300      0.5342000       2.048900    
 H   -6.203700      0.7842000      0.8443000    
 H    2.729000     -0.8299000      -4.373700    
 H    1.199500      -1.350500      -4.575200    
 H   -2.659500      -3.786600       2.978200    


%chk=000133352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133352

0 1
O 2.501495 -0.032840 1.595928
O -2.469048 -0.261058 -1.137805
O 2.197493 -3.266057 -0.719389
O 3.693602 0.237080 -2.066518
O -4.132575 -1.590070 -2.027288
O -1.751752 -4.754999 2.103460
O -0.496114 -3.258584 3.357467
N 1.178148 2.346858 0.639504
N 2.324775 -0.924852 -0.575645
N 3.000458 -1.276008 -4.341900
C 2.182170 1.632569 -0.174830
C 3.465182 2.489457 0.016134
C 3.306102 3.078273 1.438936
C 1.785796 3.326702 1.574468
C -0.181000 2.079968 0.576725
C 2.375330 0.190357 0.371346
C -0.691698 1.049344 -0.265493
C -1.117890 2.840243 1.359237
C -2.069281 0.788739 -0.302676
C -3.015569 1.531964 0.468859
C -2.487133 2.566801 1.296036
C 1.819508 -2.223036 -0.134862
C 2.948427 -0.758691 -1.877638
C -4.424216 1.189093 0.364609
C 0.803786 -2.236971 0.999760
C 2.615145 -1.754108 -3.022310
C -4.809945 0.151592 -0.471229
C -0.084020 -3.492622 0.924405
C -3.880460 -0.637493 -1.263036
C -5.455950 1.956812 1.162605
C -0.760410 -3.777228 2.249775
H 1.877512 1.597880 -1.233275
H 4.381511 1.896862 -0.119291
H 3.464706 3.287529 -0.747689
H 3.891568 4.002310 1.577465
H 3.630986 2.340933 2.191897
H 1.509173 4.360373 1.280250
H 1.432087 3.153599 2.607964
H -0.043794 0.441319 -0.901306
H -0.759089 3.643336 2.008009
H -3.172719 3.165437 1.904894
H 0.193647 -1.317390 0.992747
H 1.346454 -2.220274 1.963893
H 1.532144 -1.979544 -2.994831
H 3.114911 -2.712061 -2.802958
H -5.860931 -0.132089 -0.572356
H -0.855989 -3.406636 0.138976
H 0.526690 -4.375244 0.653639
H -5.440303 3.032756 0.905794
H -5.259604 1.877987 2.248445
H -6.471314 1.574585 0.970598
H 2.536488 -0.412030 -4.637158
H 4.011784 -1.228013 -4.492860
H -2.162578 -4.942557 2.990918


