%chk=000044755.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044755

0 1
 O    4.448300     -0.4165000     -0.6365000    
 N   -1.929500      0.5314000     -0.4020000    
 N   -1.627300      -1.103200      -2.149700    
 C   -3.391600      0.5577000     -0.5326000    
 C   -1.376400       1.373100      0.6307000    
 C   -4.040200     -0.4502000      0.4153000    
 C  -0.9875000       2.739600      6.7900002E-02
 C   -5.580900     -0.4975000      0.3670000    
 C  -0.3931000       3.725700       1.094000    
 C   -1.162700     -0.3344000      -1.207200    
 C   0.3108000     -0.4096000      -1.006600    
 C   -6.167200      -1.483100       1.378700    
 C   -6.041700     -0.8717000      -1.044600    
 C  -7.9899997E-02   5.090400      0.4791000    
 C   0.8787000       3.130700       1.704700    
 C   0.9046000      -1.321600     -0.1190000    
 C    2.313100      -1.336500      1.8600000E-02
 C    1.094500      0.4751000      -1.748100    
 C    3.086300     -0.4388000     -0.7356000    
 C    2.479600      0.4605000      -1.612900    
 C   0.1314000      -2.219300      0.6352000    
 C    2.906800      -2.248500      0.9062000    
 C   0.7381000      -3.118700       1.512300    
 C    2.123200      -3.133300       1.647600    
 C    5.043400      0.8049000     -0.2079000    
 C    6.319100      0.4940000      0.5455000    
 H   -3.760400       1.560600     -0.2800000    
 H   -3.693500      0.4115000      -1.572300    
 H   -2.103700       1.521000       1.439100    
 H  -0.5238000      0.8833000       1.107500    
 H   -3.734100     -0.2254000       1.445200    
 H   -3.643700      -1.451800      0.2012000    
 H  -0.2826000       2.624700     -0.7613000    
 H   -1.879800       3.203900     -0.3733000    
 H   -5.969800      0.5006000      0.6044000    
 H   -1.123800       3.878000       1.898100    
 H   -5.827800      -2.505100       1.178700    
 H   -5.861400      -1.218100       2.396200    
 H   -7.261700      -1.474600       1.344700    
 H   -5.575800      -1.802900      -1.384500    
 H   -7.128100      -1.012000      -1.070800    
 H   -5.810000     -8.4700003E-02  -1.768000    
 H   0.6640000       5.003400     -0.3201000    
 H   0.3107000       5.779900       1.234800    
 H  -0.9839000       5.537300      5.2700002E-02
 H    1.596500       2.838800      0.9305000    
 H    1.370200       3.860000       2.358400    
 H   0.6603000       2.254200       2.321600    
 H   0.6382000       1.173100      -2.445500    
 H    3.074600       1.148600      -2.207200    
 H   -2.640700      -1.029500      -2.237500    
 H  -0.9531000      -2.240700      0.5610000    
 H    3.986200      -2.285900       1.035900    
 H   0.1288000      -3.807500       2.090200    
 H    2.594700      -3.833700       2.330800    
 H    5.271800       1.417800      -1.086600    
 H    4.366200       1.366100      0.4484000    
 H    6.810100       1.412500      0.8792000    
 H    7.013700     -6.8200000E-02 -8.7200001E-02
 H    6.107600     -0.1311000       1.419300    


%chk=000044755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044755

0 1
O 4.585702 -0.648730 -0.271096
N -1.889025 0.520211 0.017054
N -1.548842 -0.513807 -2.168386
C -3.359531 0.559579 -0.146287
C -1.304037 1.447211 1.017869
C -4.023884 -0.812182 0.129148
C -1.246455 2.915185 0.527517
C -5.559311 -0.824997 -0.100670
C -0.786986 3.923885 1.614360
C -1.107979 -0.065230 -1.003715
C 0.371922 -0.213120 -0.753166
C -6.173540 -2.121889 0.478523
C -5.927597 -0.679079 -1.598138
C -0.914877 5.373382 1.087583
C 0.659101 3.647283 2.094973
C 0.916168 -0.973395 0.351806
C 2.353159 -1.103073 0.488661
C 1.249171 0.347110 -1.685889
C 3.211708 -0.475608 -0.488498
C 2.664471 0.232421 -1.565379
C 0.086600 -1.642654 1.314853
C 2.899642 -1.864151 1.571495
C 0.642815 -2.386200 2.358304
C 2.061152 -2.494227 2.494287
C 5.518235 -0.066458 -1.256141
C 6.929589 -0.408346 -0.786565
H -3.756383 1.304194 0.567557
H -3.631824 0.926617 -1.158765
H -1.910517 1.386689 1.944062
H -0.292785 1.098086 1.274289
H -3.810677 -1.090787 1.180699
H -3.553710 -1.588796 -0.506256
H -0.560223 2.973444 -0.342377
H -2.250575 3.214928 0.162420
H -5.998048 0.036260 0.449627
H -1.466923 3.815852 2.488048
H -5.752191 -3.012078 -0.027209
H -5.965591 -2.217943 1.560542
H -7.270370 -2.142358 0.338697
H -5.492174 -1.510324 -2.185903
H -7.024250 -0.707137 -1.737795
H -5.563707 0.270957 -2.030829
H -0.251094 5.530667 0.215490
H -0.630175 6.107621 1.864154
H -1.950279 5.597781 0.768919
H 1.364757 3.682666 1.242467
H 0.979656 4.407337 2.831658
H 0.759290 2.656479 2.573486
H 0.823859 0.872353 -2.546791
H 3.299919 0.697419 -2.323826
H -2.564660 -0.348181 -2.323158
H -1.000330 -1.566207 1.209594
H 3.987226 -1.944718 1.651589
H -0.011380 -2.895006 3.075393
H 2.487798 -3.077786 3.317571
H 5.308188 -0.497480 -2.256398
H 5.362320 1.030935 -1.304351
H 7.673500 0.004250 -1.492172
H 7.067855 -1.501618 -0.732399
H 7.121928 0.017061 0.213169


