%chk=000021079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021079

0 1
 O    2.048100       3.746800      0.3762000    
 N   -1.470900      0.3332000     -0.4252000    
 N   0.4117000       1.532300     -0.1373000    
 N   0.5862000     -0.7981000     -0.5436000    
 C   -2.313200     -0.8235000     -0.6645000    
 C   -3.584800     -0.4034000      -1.408500    
 C   -2.640800      -1.518700      0.6608000    
 C    2.050800     -0.7055000     -0.4682000    
 C   -4.545300      0.4002000     -0.5317000    
 C   -3.604700     -0.7111000       1.530200    
 C   -4.869500     -0.3318000      0.7666000    
 C    2.665700      -1.753200      -1.396600    
 C    2.493200     -0.8911000      0.9839000    
 C    2.474200      -3.180900     -0.8858000    
 C    2.302100      -2.323800       1.481000    
 C    2.962700      -3.336100      0.5508000    
 C  -9.0499997E-02  0.2998000     -0.3760000    
 C   0.4698000       2.102900       1.206200    
 C   0.7497000       2.457800      -1.215800    
 C    1.818900       2.782500       1.406900    
 C    2.086500       3.121600     -0.9093000    
 H   -1.777900      -1.530500      -1.310300    
 H   -4.102900      -1.304100      -1.762000    
 H   -3.328800      0.1845000      -2.298400    
 H   -1.724200      -1.720300       1.228200    
 H   -3.097500      -2.493100      0.4447000    
 H    2.407900      0.2614000     -0.8292000    
 H   -4.117200       1.383000     -0.3027000    
 H   -5.472500      0.5865000      -1.085900    
 H   -3.873300      -1.295000       2.417900    
 H   -3.106600      0.1980000       1.888800    
 H   -5.506000      0.2994000       1.397000    
 H   -5.443900      -1.238600      0.5401000    
 H    3.741500      -1.557100      -1.491600    
 H    2.237000      -1.667500      -2.402400    
 H    1.957600     -0.2202000       1.659000    
 H    3.557200     -0.6333000       1.063100    
 H    3.015400      -3.878100      -1.535500    
 H    1.413400      -3.454200     -0.9427000    
 H    1.231200      -2.546500       1.563300    
 H    2.723600      -2.421400       2.488000    
 H    4.051300      -3.204900      0.5824000    
 H    2.753200      -4.352300      0.9035000    
 H   -1.932300       1.215200     -0.2226000    
 H  -0.3358000       2.840700       1.302900    
 H   0.3104000       1.339300       1.975000    
 H   0.8041000       1.939400      -2.179800    
 H  -3.9700001E-02   3.215400      -1.285200    
 H    1.832200       3.308800       2.366400    
 H    2.644400       2.062500       1.412300    
 H    2.921000       2.413200     -0.9402000    
 H    2.291700       3.899900      -1.651300    


%chk=000021079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021079

0 1
O 1.469197 4.386792 0.209254
N -1.293963 0.412154 -0.509449
N 0.740845 1.628291 -0.136568
N 0.706959 -0.811686 -0.442259
C -2.146822 -0.774283 -0.734072
C -3.491470 -0.342499 -1.369413
C -2.391082 -1.562928 0.583819
C 2.177635 -0.895577 -0.285830
C -4.401248 0.431190 -0.380139
C -3.283815 -0.778981 1.573101
C -4.629134 -0.376064 0.921164
C 2.730696 -1.930455 -1.301658
C 2.538838 -1.330760 1.164596
C 2.254468 -3.368142 -0.985672
C 2.066512 -2.768299 1.485121
C 2.632796 -3.778760 0.457789
C 0.092193 0.339814 -0.364751
C 0.340457 2.360251 1.089922
C 0.852862 2.525456 -1.314466
C 1.368315 3.472695 1.361170
C 1.867300 3.638366 -0.996653
H -1.590700 -1.431454 -1.430090
H -4.022829 -1.259144 -1.692944
H -3.301522 0.258075 -2.280733
H -1.411762 -1.807312 1.033643
H -2.880861 -2.524647 0.325342
H 2.652977 0.093093 -0.466064
H -3.949187 1.413240 -0.123244
H -5.369229 0.659015 -0.866719
H -3.465133 -1.384769 2.481791
H -2.747291 0.134992 1.901770
H -5.243140 0.210685 1.631833
H -5.205232 -1.293853 0.680596
H 3.840017 -1.891652 -1.267535
H 2.422071 -1.639744 -2.324342
H 2.103276 -0.606250 1.880543
H 3.642493 -1.275419 1.274402
H 2.687569 -4.080792 -1.714967
H 1.153539 -3.403907 -1.096900
H 0.959823 -2.800759 1.449604
H 2.373775 -3.048798 2.512059
H 3.739304 -3.815095 0.551650
H 2.258106 -4.797995 0.676917
H -1.731595 1.332533 -0.469939
H -0.670993 2.830634 0.998385
H 0.313838 1.653827 1.939289
H 1.196470 1.936907 -2.184315
H -0.125807 2.996407 -1.580894
H 1.063015 4.105008 2.211468
H 2.359931 3.015401 1.566472
H 2.871813 3.188674 -0.843722
H 1.910121 4.386524 -1.805463


