%chk=000086120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086120

0 1
 O   -3.039900     -0.1583000      0.6909000    
 O  -0.5015000      0.5970000     -0.1568000    
 O   -4.315400      0.9827000     -0.8566000    
 N  -0.8777000      -2.884300     -0.5757000    
 C   -2.359900     -0.9158000     -0.3142000    
 C   -1.633600      -2.075700      0.3712000    
 C  -0.1518000      -3.945500      0.1090000    
 C   -1.422900      1.8500000E-02  -1.076500    
 C   0.8180000      -3.351800       1.126700    
 C   0.5858000      -4.800000     -0.9171000    
 C   0.7389000      0.9073000     -0.6373000    
 C    1.871900      0.8804000      0.1922000    
 C    3.135700       1.210900     -0.3520000    
 C   -3.769300      0.9036000      0.2351000    
 C   0.8504000       1.255300      -1.983900    
 C    1.778200      0.5326000       1.549700    
 C    3.229600       1.558300      -1.709600    
 C   -3.795500       1.973100       1.301700    
 C    2.093400       1.580000      -2.519000    
 C    4.268900       1.183900      0.4773000    
 C    2.914400      0.5114000       2.359000    
 C    4.157400      0.8364000       1.823900    
 C   -4.575100       3.200100      0.8618000    
 H   -3.106500      -1.330700      -1.004300    
 H   -1.001100      -1.633700       1.147400    
 H   -2.374000      -2.692200      0.8976000    
 H  -0.8580000      -4.600900      0.6347000    
 H  -0.9170000     -0.5720000      -1.851200    
 H   -1.965500      0.8285000      -1.573600    
 H   -1.510100      -3.283200      -1.268800    
 H   0.3131000      -2.972200       2.020300    
 H    1.421800      -2.547400      0.6919000    
 H    1.514800      -4.121600       1.479300    
 H    1.321200      -4.210100      -1.476000    
 H    1.118100      -5.622200     -0.4266000    
 H  -0.1119000      -5.241800      -1.637300    
 H  -5.5999998E-03   1.324000      -2.648100    
 H   0.8223000      0.2723000       1.998800    
 H    4.190700       1.817600      -2.148600    
 H   -4.256200       1.553500       2.202100    
 H   -2.763600       2.262100       1.527400    
 H    2.179300       1.858900      -3.565200    
 H    5.250500       1.434000      8.0399998E-02
 H    2.828500      0.2401000       3.407200    
 H    5.041500      0.8192000       2.454500    
 H   -4.134500       3.644100     -3.7000000E-02
 H   -4.574400       3.956200       1.652900    
 H   -5.615000       2.944200      0.6334000    


%chk=000086120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086120

0 1
O -2.741462 0.149268 0.742270
O 0.019174 0.153774 -0.143690
O -4.000135 1.198444 -0.919705
N -1.412586 -3.143751 -0.422298
C -2.203666 -0.810404 -0.271456
C -1.778812 -2.063574 0.517257
C -0.366436 -4.105492 0.030894
C -1.066287 -0.181849 -1.076508
C 1.034062 -3.458633 -0.044937
C -0.441089 -5.364435 -0.856709
C 1.204816 0.670715 -0.680542
C 2.223137 0.984348 0.294218
C 3.489894 1.504346 -0.173858
C -3.629644 1.126686 0.275167
C 1.428722 0.877454 -2.047794
C 2.012804 0.796215 1.698004
C 3.698759 1.702931 -1.580493
C -4.038257 2.051992 1.409143
C 2.685791 1.397394 -2.488633
C 4.504620 1.808991 0.793086
C 3.023003 1.104835 2.614062
C 4.279953 1.613193 2.158089
C -5.187610 3.000001 1.023775
H -3.017741 -1.047216 -0.984653
H -0.902318 -1.806911 1.134364
H -2.604584 -2.334931 1.212076
H -0.549097 -4.417924 1.089448
H -0.718232 -0.938393 -1.807285
H -1.412159 0.728184 -1.601871
H -2.242126 -3.636165 -0.779041
H 1.084249 -2.516188 0.528703
H 1.285280 -3.225422 -1.095622
H 1.800224 -4.145176 0.360780
H -0.292035 -5.090109 -1.917542
H 0.342597 -6.088029 -0.571870
H -1.421265 -5.870834 -0.761025
H 0.657843 0.647067 -2.787897
H 1.044694 0.414626 2.035011
H 4.660135 2.098032 -1.927429
H -4.296449 1.430888 2.286803
H -3.136970 2.624768 1.704807
H 2.843774 1.552054 -3.561698
H 5.465685 2.201845 0.439952
H 2.854087 0.960148 3.686909
H 5.064901 1.850788 2.884834
H -4.920409 3.604704 0.140696
H -5.417968 3.682664 1.860538
H -6.102467 2.435885 0.772672


