%chk=000042873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042873

0 1
 N  -0.5368000     -3.6800001E-02   1.086300    
 N   -3.241100      0.3374000      0.2464000    
 N    1.729000      -1.759800      0.4096000    
 C  -0.8505000      0.1907000     -0.3295000    
 C   -1.481100      0.7036000       1.932300    
 C   0.8384000      0.3664000       1.378400    
 C   -2.269000     -0.2795000     -0.6613000    
 C   -2.919900      0.2494000       1.676400    
 C    1.836000     -0.4079000      0.5586000    
 C    2.925700      5.0900001E-02 -0.1207000    
 C    3.535200      -1.073600     -0.7290000    
 C    2.785600      -2.180300     -0.3922000    
 C   -4.589500      0.4037000     -0.1218000    
 C    3.316200       1.432200     -0.1626000    
 C   0.7724000      -2.632900      0.9283000    
 C    2.875400      -3.572200     -0.6846000    
 C    4.751200      -1.064000      -1.569900    
 C   -5.163500     -0.5769000     -0.9557000    
 C   -5.414300       1.453300      0.3299000    
 C   0.8614000      -3.943600      0.6497000    
 C    1.953000      -4.417300     -0.1853000    
 C    2.824200       2.265600      -1.167000    
 C    4.187400       1.939900      0.8009000    
 C   -6.507400     -0.5103000      -1.323100    
 C   -6.758300       1.519700     -3.7500001E-02
 C    3.203700       3.607200      -1.208000    
 C    4.566700       3.281700      0.7599000    
 C   -7.304800      0.5379000     -0.8640000    
 C    4.074800       4.115300     -0.2446000    
 H  -0.1783000     -0.3515000      -1.002500    
 H  -0.7560000       1.257600     -0.5761000    
 H   -1.400300       1.784200       1.752100    
 H   -1.250900      0.5308000       2.990600    
 H    1.063900      0.1734000       2.435800    
 H   0.9618000       1.445300       1.222700    
 H   -2.483900     -5.1000002E-03  -1.701600    
 H   -2.323700      -1.372800     -0.5800000    
 H   -3.054100     -0.7869000       2.012700    
 H   -3.587500      0.8744000       2.280800    
 H  -3.4000000E-03  -2.277700       1.589900    
 H    3.682700      -3.943700      -1.306400    
 H    5.405000     -0.2206000      -1.326600    
 H    5.338700      -1.977500      -1.431700    
 H    4.479200     -0.9890000      -2.627700    
 H   -4.576700      -1.415200      -1.322600    
 H   -5.007300       2.237300      0.9646000    
 H   0.1559000      -4.662600       1.047900    
 H    2.003300      -5.480300     -0.3944000    
 H    2.143500       1.885500      -1.925200    
 H    4.580200       1.303700       1.590500    
 H   -6.934100      -1.276000      -1.964300    
 H   -7.378700       2.337500      0.3175000    
 H    2.820500       4.256400      -1.989800    
 H    5.245100       3.677500       1.510000    
 H   -8.351300      0.5897000      -1.150000    
 H    4.370200       5.159900     -0.2764000    


%chk=000042873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042873

0 1
N -0.591818 -0.076814 1.125451
N -3.325545 0.417445 0.303364
N 1.835056 -1.906659 0.585105
C -0.911610 0.297257 -0.273777
C -1.553960 0.572779 2.047050
C 0.823427 0.232257 1.496807
C -2.339630 -0.137358 -0.645647
C -2.987242 0.126856 1.715181
C 1.833253 -0.511583 0.670997
C 2.904051 -0.036352 -0.136784
C 3.573632 -1.162836 -0.730457
C 2.910863 -2.326006 -0.272725
C -4.682231 0.549367 -0.088599
C 3.274917 1.388131 -0.319678
C 0.975867 -2.832724 1.177602
C 3.107894 -3.723793 -0.472376
C 4.791917 -1.152780 -1.620493
C -5.141431 0.101366 -1.365919
C -5.637055 1.179452 0.769456
C 1.183604 -4.187906 0.974440
C 2.266343 -4.649762 0.145492
C 3.476423 1.925068 -1.621972
C 3.455049 2.254119 0.795709
C -6.481702 0.293436 -1.764249
C -6.974054 1.355423 0.364063
C 3.832397 3.279136 -1.803950
C 3.809133 3.609016 0.615646
C -7.414486 0.919208 -0.908273
C 3.997156 4.129608 -0.685878
H -0.191788 -0.199660 -0.948164
H -0.816730 1.402207 -0.424035
H -1.492398 1.688929 1.982482
H -1.313650 0.275058 3.085666
H 0.927403 -0.026559 2.572778
H 1.038853 1.322458 1.402605
H -2.557106 0.245290 -1.657341
H -2.387870 -1.250826 -0.675991
H -3.073391 -0.966974 1.912453
H -3.688013 0.644897 2.387165
H 0.142573 -2.412481 1.742774
H 3.928432 -4.047793 -1.119933
H 5.363963 -0.217310 -1.495498
H 5.469291 -1.994020 -1.383035
H 4.532089 -1.237089 -2.694611
H -4.463785 -0.419544 -2.048180
H -5.331585 1.564351 1.747470
H 0.501025 -4.900301 1.445967
H 2.416458 -5.723216 -0.004540
H 3.330936 1.277376 -2.493877
H 3.350606 1.848763 1.808888
H -6.798521 -0.064602 -2.751094
H -7.675594 1.850502 1.046009
H 3.975544 3.671646 -2.817202
H 3.948380 4.255029 1.490019
H -8.454251 1.061896 -1.220112
H 4.272812 5.180721 -0.826550


