%chk=000063452.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063452

0 1
 O   -5.519300       1.084600      -2.173800    
 N    1.657200      0.8224000      4.8000000E-02
 N    4.454600      0.2674000     -0.1134000    
 N   -2.014300      0.2577000     -0.2501000    
 N   -3.725300     -0.3099000      -1.870000    
 C   0.2985000      0.9935000     -0.4649000    
 C    2.129600     -0.5467000     -0.1921000    
 C    2.570500       1.783400     -0.5823000    
 C  -0.6618000      5.4400001E-02  0.2536000    
 C    3.529100     -0.7548000      0.3911000    
 C    3.985500       1.652700     -1.3200000E-02
 C   -2.614200     -0.7976000      -1.067700    
 C   -2.809300       1.301200      0.2097000    
 C    5.826100     -6.2000002E-03 -6.5600000E-02
 C   -4.056500       1.573600     -0.3862000    
 C   -3.075200      -1.923600     -0.1968000    
 C   -4.513100      0.7718000      -1.545100    
 C   -2.417900       2.141200       1.269500    
 C   -4.875100       2.620600      6.4099997E-02
 C    6.370200      -1.111900     -0.7492000    
 C    6.704700      0.8159000      0.6683000    
 C   -3.571300      -1.656100       1.076500    
 C   -3.006400      -3.233700     -0.6639000    
 C   -3.231400       3.184600       1.722800    
 C   -4.460600       3.422300       1.121900    
 C    7.737300      -1.384800     -0.7007000    
 C    8.071800      0.5430000      0.7166000    
 C   -4.001200      -2.705500       1.888400    
 C   -3.436500      -4.283200      0.1480000    
 C    8.588000     -0.5574000      3.2099999E-02
 C   -3.933900      -4.019100       1.424200    
 H   0.2567000      0.8162000      -1.548400    
 H  -1.5799999E-02   2.032200     -0.3072000    
 H    2.137900     -0.7760000      -1.266100    
 H    1.508100      -1.296300      0.3040000    
 H    2.223100       2.807900     -0.4013000    
 H    2.598000       1.635400      -1.670400    
 H  -0.6054000      0.1492000       1.344300    
 H  -0.4030000     -0.9883000      4.8400000E-02
 H    3.495100     -0.7001000       1.487100    
 H    3.862300      -1.765600      0.1282000    
 H    4.642800       2.326000     -0.5773000    
 H    3.991600       1.973300       1.036500    
 H   -1.864400      -1.157400      -1.783800    
 H   -4.003400     -0.8659000      -2.673300    
 H   -1.469100       2.011700       1.782300    
 H   -5.835700       2.826600     -0.4004000    
 H    5.728100      -1.763900      -1.337200    
 H    6.337200       1.674500       1.224700    
 H   -3.667200     -0.6631000       1.493600    
 H   -2.622400      -3.452300      -1.656700    
 H   -2.899300       3.810500       2.546200    
 H   -5.091900       4.233100       1.472400    
 H    8.139900      -2.239800      -1.235800    
 H    8.734300       1.185400       1.289300    
 H   -4.392300      -2.500700       2.880900    
 H   -3.384700      -5.306000     -0.2135000    
 H    9.652400     -0.7698000      6.9799997E-02
 H   -4.269700      -4.836200       2.055900    


%chk=000063452-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063452

0 1
O -5.911017 1.349521 -1.733595
N 1.629411 0.562148 -0.243958
N 4.511408 0.231335 -0.157436
N -2.153353 0.233620 -0.364169
N -4.124725 -0.128331 -1.718364
C 0.266456 0.716054 -0.799287
C 2.253472 -0.747927 -0.552935
C 2.541346 1.654048 -0.663712
C -0.769334 -0.150169 -0.036562
C 3.597562 -0.884517 0.180871
C 3.895423 1.554106 0.061090
C -2.958195 -0.775579 -1.091485
C -2.751440 1.361403 0.214584
C 5.910785 0.074827 0.027509
C -4.073732 1.751314 -0.180568
C -3.352237 -1.974743 -0.203127
C -4.792295 0.999492 -1.241319
C -2.073500 2.166146 1.179983
C -4.688237 2.888976 0.388943
C 6.556771 -1.161274 -0.285146
C 6.731385 1.149517 0.488189
C -4.150717 -1.797314 0.956384
C -2.906855 -3.273953 -0.544059
C -2.707865 3.293884 1.737503
C -4.019870 3.666579 1.353800
C 7.950530 -1.307153 -0.146770
C 8.128807 0.994069 0.612166
C -4.493746 -2.905928 1.757697
C -3.251768 -4.387807 0.257292
C 8.755637 -0.232124 0.299863
C -4.046119 -4.204558 1.410680
H 0.216808 0.476285 -1.891847
H -0.025835 1.776213 -0.691187
H 2.419781 -0.866781 -1.654398
H 1.587772 -1.562576 -0.215366
H 2.073394 2.624291 -0.414655
H 2.724712 1.631050 -1.767886
H -0.573430 -0.060373 1.049193
H -0.647473 -1.218991 -0.284118
H 3.401459 -0.900605 1.277725
H 4.058379 -1.845728 -0.093078
H 4.559440 2.334661 -0.348443
H 3.744961 1.758551 1.147056
H -2.322109 -1.173842 -1.909202
H -4.627368 -0.666077 -2.428954
H -1.061363 1.912135 1.507127
H -5.694696 3.141072 0.037680
H 5.975615 -2.005865 -0.668783
H 6.284623 2.105618 0.775181
H -4.502526 -0.796127 1.229684
H -2.292134 -3.418544 -1.443248
H -2.168299 3.887787 2.484534
H -4.499922 4.546160 1.793375
H 8.413200 -2.267523 -0.403240
H 8.727797 1.839705 0.970449
H -5.112049 -2.762197 2.650644
H -2.903985 -5.390072 -0.016578
H 9.839328 -0.349709 0.402055
H -4.317070 -5.063782 2.034215


