%chk=000027921.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027921

0 1
 O    3.238300      -2.331800     -0.4557000    
 O    4.828400     -0.2092000      0.3678000    
 N   -1.235400       1.894100     -0.3831000    
 C  -0.7785000      0.4891000     -0.2966000    
 C   0.7229000      0.3199000     -0.1292000    
 C  -0.5834000       2.743900      0.6210000    
 C   0.9433000       2.758700      0.5169000    
 C    1.530400       1.389400      0.2971000    
 C   -1.528200     -0.2185000      0.8436000    
 C    1.316100     -0.9282000     -0.3781000    
 C   -1.096900       2.434300      -1.735800    
 C    2.910300       1.197800      0.4561000    
 C   -2.932300     -0.5540000      0.4406000    
 C    2.688600      -1.110300     -0.2087000    
 C    3.485000     -4.8000000E-02  0.2087000    
 C   -3.954100      0.3612000      0.6725000    
 C   -3.203400      -1.778100     -0.1620000    
 C   -5.260900      4.8900001E-02  0.2977000    
 C   -4.510100      -2.090400     -0.5369000    
 C   -5.538900      -1.176900     -0.3071000    
 C    3.306900      -3.244000      0.6384000    
 C    5.651900      5.2000001E-02 -0.7673000    
 H   -1.043500     -1.2000000E-02  -1.239600    
 H  -0.8703000       2.409700       1.625200    
 H  -0.9646000       3.770700      0.5513000    
 H    1.353400       3.192600       1.436900    
 H    1.251800       3.402300     -0.3162000    
 H   -1.528500      0.3591000       1.776200    
 H   -1.025300      -1.156300       1.118400    
 H   0.7019000      -1.764000     -0.7064000    
 H   -1.463600       3.466000      -1.777400    
 H   -1.712800       1.860500      -2.437400    
 H  -6.5200001E-02   2.420900      -2.102200    
 H    3.539300       2.027800      0.7702000    
 H   -3.752500       1.317400       1.147500    
 H   -2.409900      -2.496700     -0.3487000    
 H   -6.062100      0.7597000      0.4777000    
 H   -4.726600      -3.044500      -1.008400    
 H   -6.556400      -1.420000     -0.5989000    
 H    3.772600      -4.168100      0.2852000    
 H    2.302900      -3.476600       1.007200    
 H    3.918200      -2.830900       1.446900    
 H    5.551100       1.095500      -1.082000    
 H    5.392300     -0.6169000      -1.594000    
 H    6.692500     -0.1292000     -0.4845000    


%chk=000027921-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027921

0 1
O 3.262254 -2.331469 -0.521044
O 4.920629 -0.092975 0.407844
N -1.273116 1.935196 -0.287237
C -0.812097 0.521066 -0.290373
C 0.711482 0.375367 -0.099257
C -0.639006 2.725841 0.794629
C 0.900260 2.823576 0.645607
C 1.514352 1.457006 0.361330
C -1.601934 -0.325056 0.771695
C 1.328868 -0.870629 -0.371649
C -1.220826 2.583949 -1.614744
C 2.910456 1.264244 0.510119
C -3.042206 -0.601472 0.370194
C 2.712424 -1.063609 -0.205210
C 3.521767 0.030728 0.218848
C -4.018742 0.430046 0.370316
C -3.436624 -1.903526 -0.034918
C -5.348894 0.165373 -0.025702
C -4.766991 -2.172265 -0.431610
C -5.729583 -1.136688 -0.427797
C 3.881166 -3.032175 0.628156
C 5.681415 -0.392553 -0.827785
H -1.072176 0.099914 -1.281510
H -0.883229 2.247372 1.762363
H -1.091848 3.734520 0.805609
H 1.344881 3.260645 1.560633
H 1.147890 3.518084 -0.183329
H -1.557953 0.209689 1.740064
H -1.068875 -1.282309 0.916161
H 0.737627 -1.724913 -0.722913
H -1.619923 3.611509 -1.531804
H -1.865054 2.026163 -2.317449
H -0.199634 2.645690 -2.061931
H 3.552706 2.086021 0.847673
H -3.712735 1.440885 0.658344
H -2.696209 -2.714123 -0.034834
H -6.089892 0.973451 -0.018780
H -5.052136 -3.185409 -0.738251
H -6.762653 -1.342158 -0.731134
H 4.291310 -3.966813 0.215841
H 3.113458 -3.262400 1.391480
H 4.683894 -2.420858 1.078786
H 5.600227 0.452617 -1.537818
H 5.312495 -1.318332 -1.305131
H 6.727475 -0.512319 -0.506581


