%chk=000051253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051253

0 1
 N   -2.608900     -0.3562000     -6.6500001E-02
 N    2.856000      0.8371000     -0.1160000    
 C  -0.3843000     -0.6477000      0.9630000    
 C   0.3208000     -0.4753000     -0.3893000    
 C   -1.791300     -5.4200001E-02  0.9836000    
 C   0.5328000     -6.6900000E-02   2.060800    
 C  -0.1981000      7.2999999E-02   3.388600    
 C   0.4970000       1.001300     -0.7014000    
 C    1.629100      -1.248400     -0.3978000    
 C   -1.399500       1.000400       3.239800    
 C   -2.209300      0.7066000       2.014000    
 C   -2.479600      -1.602300     -0.8239000    
 C   -3.605800      0.5865000     -0.5764000    
 C   -3.830200      -2.312500     -0.8921000    
 C   -4.975000     -8.7899998E-02 -0.6398000    
 C   -4.916800      -1.388400      -1.438900    
 C    1.752400       1.625200     -0.5202000    
 C    2.859000     -0.5737000     -0.2234000    
 C  -0.6134000       1.747400      -1.134800    
 C    1.597800      -2.646800     -0.5423000    
 C    1.844300       3.002000     -0.7964000    
 C    4.033300      -1.348800     -0.2089000    
 C    4.084300       1.512600      0.3072000    
 C  -0.4944000       3.108600      -1.394100    
 C    2.774600      -3.387800     -0.5180000    
 C   0.7339000       3.734900      -1.225200    
 C    3.991200      -2.738800     -0.3516000    
 H  -0.4906000      -1.716700       1.197200    
 H  -0.2269000     -0.8839000      -1.239200    
 H   0.9107000      0.9309000       1.826500    
 H    1.399800     -0.7168000       2.225400    
 H   0.4792000      0.4646000       4.156100    
 H  -0.5302000     -0.9154000       3.731000    
 H   -1.066200       2.044000       3.195300    
 H   -2.034700      0.9033000       4.127700    
 H   -3.216500       1.113600       2.035200    
 H   -1.775100      -2.314600     -0.3863000    
 H   -2.154500      -1.382600      -1.848000    
 H   -3.373700      0.8706000      -1.609300    
 H   -3.673500       1.519600     -8.1000002E-03
 H   -4.116900      -2.649900      0.1119000    
 H   -3.751000      -3.205000      -1.522700    
 H   -5.705000      0.5921000      -1.092900    
 H   -5.322800     -0.3038000      0.3782000    
 H   -4.711800      -1.163900      -2.492800    
 H   -5.888500      -1.892900      -1.399900    
 H   -1.508800       1.262300      -1.452400    
 H   0.6503000      -3.164100     -0.6707000    
 H    2.787400       3.535300     -0.7109000    
 H    5.013700     -0.8901000     -0.1106000    
 H    3.876700       2.452900      0.8306000    
 H    4.728000       1.720100     -0.5545000    
 H    4.647900      0.9209000       1.037600    
 H   -1.344900       3.668600      -1.770900    
 H    2.742100      -4.467200     -0.6302000    
 H   0.8374000       4.794000      -1.443900    
 H    4.914400      -3.311200     -0.3396000    


%chk=000051253-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051253

0 1
N -2.577882 -0.333797 -0.537973
N 3.030076 0.833723 0.056685
C -0.433276 -0.524595 0.763552
C 0.397080 -0.230660 -0.569328
C -1.878947 -0.001896 0.668864
C 0.317481 -0.001170 2.018441
C -0.594174 0.145694 3.252297
C 0.738717 1.243324 -0.752355
C 1.654136 -1.091291 -0.613941
C -1.707236 1.165779 2.931656
C -2.426180 0.784865 1.651179
C -2.584750 -1.743147 -1.014741
C -3.864887 0.329328 -0.850047
C -3.750120 -2.561269 -0.398367
C -5.096793 -0.404605 -0.251724
C -5.107452 -1.884978 -0.708739
C 2.034391 1.737444 -0.405862
C 2.924097 -0.547653 -0.249458
C -0.227192 2.147002 -1.246943
C 1.574766 -2.454705 -0.971962
C 2.315528 3.124417 -0.552921
C 4.065732 -1.398055 -0.227624
C 4.261813 1.352904 0.662043
C 0.046286 3.526663 -1.380806
C 2.703667 -3.303796 -0.943024
C 1.324589 4.010370 -1.025587
C 3.951088 -2.764308 -0.558847
H -0.466575 -1.633981 0.841195
H -0.266445 -0.526534 -1.402380
H 0.743363 0.994921 1.793282
H 1.168833 -0.675049 2.229920
H 0.001696 0.477221 4.125065
H -1.051446 -0.829385 3.514458
H -1.263537 2.182905 2.858927
H -2.441445 1.210205 3.760557
H -3.462319 1.130575 1.556125
H -1.620758 -2.225475 -0.786845
H -2.697422 -1.731265 -2.119875
H -3.971491 0.337881 -1.956023
H -3.818237 1.380315 -0.515662
H -3.605426 -2.626425 0.698376
H -3.730517 -3.594544 -0.797790
H -6.025041 0.107289 -0.573345
H -5.059824 -0.360182 0.853353
H -5.291515 -1.928104 -1.803310
H -5.936382 -2.434174 -0.223263
H -1.212440 1.747638 -1.512332
H 0.600681 -2.860432 -1.275126
H 3.312780 3.515505 -0.332012
H 5.052873 -0.995384 0.016066
H 4.033790 2.263332 1.240145
H 5.045115 1.597857 -0.085925
H 4.670317 0.608107 1.364803
H -0.722919 4.209777 -1.756390
H 2.613113 -4.359408 -1.219499
H 1.562417 5.075189 -1.131154
H 4.844104 -3.399363 -0.536009


