%chk=000075054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075054

0 1
 O   -3.552000     -0.1058000      -1.999800    
 O   -2.066400      -2.226800      -1.983400    
 N  -5.2900001E-02  0.3696000      0.4156000    
 N    3.516400      0.8831000     -0.5452000    
 N   -2.570200     -0.2200000     -0.9850000    
 C    1.283500      0.9758000      0.4532000    
 C    2.191600      0.2753000     -0.5494000    
 C   -1.162900       1.241900      0.4375000    
 C  -0.1239000      -1.007600      0.6956000    
 C    4.394200      0.2139000      -1.507100    
 C    4.102500      0.8340000      0.7957000    
 C   -2.378200      0.9437000     -0.2096000    
 C   -1.031700      -1.855000      5.1199999E-02
 C   -1.071500       2.477800       1.126600    
 C   -1.900600      -1.422100      -1.063000    
 C   0.7195000      -1.585500       1.672500    
 C   -3.433400       1.884100     -0.1597000    
 C    3.805200      0.2528000      -2.907000    
 C    5.455900       1.523600      0.8289000    
 C   -1.089700      -3.224400      0.3794000    
 C   -2.127500       3.387000       1.174600    
 C   0.6573000      -2.941800       1.998300    
 C   -3.312600       3.089000      0.5283000    
 C  -0.2525000      -3.762900       1.351700    
 H    1.247600       2.028500      0.1392000    
 H    1.629500      0.9761000       1.488700    
 H    2.276500     -0.8000000     -0.3577000    
 H    1.710200      0.3864000      -1.528000    
 H    5.355700      0.7328000      -1.576800    
 H    4.598200     -0.8260000      -1.222300    
 H    3.507600       1.398800       1.516600    
 H    4.195400     -0.1936000       1.168700    
 H  -0.1702000       2.743900       1.675900    
 H    1.432000     -0.9835000       2.230900    
 H   -4.384600       1.686600     -0.6500000    
 H    2.977600     -0.4523000      -3.033200    
 H    3.464100       1.257900      -3.178000    
 H    4.572300     -3.6800001E-02  -3.634300    
 H    6.242200      0.9248000      0.3591000    
 H    5.422700       2.508000      0.3493000    
 H    5.764200       1.678600       1.869300    
 H   -1.790300      -3.889900     -0.1206000    
 H   -2.019800       4.319200       1.720700    
 H    1.315300      -3.348500       2.760200    
 H   -4.143600       3.787000      0.5567000    
 H  -0.3093000      -4.818700       1.597900    
 H   -4.280900     -0.6062000      -1.593700    


%chk=000075054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000075054

0 1
O -3.340584 -0.346886 -2.233457
O -2.601409 -2.625851 -1.432072
N -0.045648 0.263832 0.340735
N 3.636999 0.623749 -0.564458
N -2.432318 -0.380069 -1.106211
C 1.317006 0.854856 0.300362
C 2.279088 0.025808 -0.584818
C -1.161096 1.173551 0.313741
C -0.224818 -1.029890 0.925720
C 4.303842 0.635455 -1.894309
C 4.490575 0.072678 0.523190
C -2.344885 0.855874 -0.408525
C -1.240536 -1.924927 0.462387
C -1.091942 2.425951 0.974639
C -2.103426 -1.673753 -0.716884
C 0.634069 -1.471483 1.970825
C -3.409515 1.785073 -0.496095
C 3.710290 1.688790 -2.848751
C 5.588235 1.049480 0.986247
C -1.380526 -3.204901 1.062310
C -2.149109 3.356656 0.887048
C 0.481870 -2.744051 2.554511
C -3.309958 3.034938 0.147893
C -0.537117 -3.618701 2.108604
H 1.233453 1.857564 -0.148414
H 1.759086 0.997025 1.309889
H 2.289705 -1.038496 -0.256088
H 1.881560 0.032238 -1.614813
H 5.371262 0.871165 -1.732059
H 4.271618 -0.374195 -2.376197
H 3.832199 -0.149548 1.385138
H 4.951840 -0.902861 0.224455
H -0.195822 2.673697 1.552572
H 1.419970 -0.806206 2.340272
H -4.286430 1.521779 -1.091505
H 2.641678 1.499910 -3.058662
H 3.797233 2.695406 -2.403924
H 4.246157 1.679752 -3.816256
H 6.298067 1.288497 0.173971
H 5.134874 1.995930 1.329019
H 6.170068 0.610565 1.818306
H -2.147839 -3.871472 0.656460
H -2.064705 4.324273 1.392777
H 1.156531 -3.049978 3.362102
H -4.132940 3.752504 0.067989
H -0.659651 -4.608310 2.559491
H -3.424502 -1.352620 -2.408654


