%chk=000226806.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226806

0 1
 O    3.302300      -1.596200     -0.2904000    
 N    5.887200      0.9541000      0.3425000    
 C   -3.115300     -0.8280000      0.1539000    
 C    5.177300     -0.1129000     -0.3623000    
 C   -2.271700      -2.070900      0.5112000    
 C   -4.621900     -0.9805000      0.4158000    
 C    7.263300       1.058700     -0.1410000    
 C    5.188900       2.228400      0.1770000    
 C  -0.8012000      -1.944800      0.2988000    
 C    3.969600     -0.5740000      0.4379000    
 C   -5.459800      0.2319000      9.6600004E-02
 C    1.950500      -1.711300     -9.6100003E-02
 C   1.3700000E-02  -1.474600       1.328600    
 C  -0.2402000      -2.298100     -0.9285000    
 C    7.301000       1.429500      -1.613900    
 C    5.878600       3.337300      0.9534000    
 C    1.389700      -1.357700       1.131200    
 C    1.135500      -2.181400      -1.125900    
 C   -5.691800       1.197100       1.076600    
 C   -6.002600      0.3887000      -1.178900    
 C   -6.466600       2.318700      0.7814000    
 C   -6.777300       1.510500      -1.474000    
 C   -7.009300       2.475500     -0.4938000    
 H   -2.956600     -0.5803000     -0.9040000    
 H   -2.738600      3.2600001E-02  0.7225000    
 H    5.824100     -0.9905000     -0.4991000    
 H    4.853200      0.1804000      -1.369500    
 H   -2.460200      -2.334700       1.560700    
 H   -2.646300      -2.928000     -6.4700000E-02
 H   -5.001300      -1.836300     -0.1583000    
 H   -4.777800      -1.251000       1.468600    
 H    7.855600       1.764500      0.4509000    
 H    7.771000      9.5399998E-02 -6.9999998E-04
 H    5.039000       2.524900     -0.8672000    
 H    4.184000       2.153200      0.6066000    
 H    4.289000     -0.9768000       1.406800    
 H    3.297600      0.2742000      0.6048000    
 H  -0.4112000      -1.200300       2.290700    
 H  -0.8647000      -2.663800      -1.739400    
 H    6.774000      0.7215000      -2.259200    
 H    6.935000       2.439600      -1.817200    
 H    8.346100       1.418600      -1.947200    
 H    6.099500       3.034500       1.982800    
 H    6.804700       3.671900      0.4763000    
 H    5.220100       4.211600       1.006600    
 H    1.990800      -1.015000       1.968200    
 H    1.567100      -2.457300      -2.084200    
 H   -5.272400       1.087200       2.073100    
 H   -5.827000     -0.3553000      -1.951400    
 H   -6.646700       3.070400       1.544400    
 H   -7.199400       1.633100      -2.467200    
 H   -7.612300       3.349000     -0.7237000    


%chk=000226806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226806

0 1
O 2.977383 -0.636424 -0.928623
N 6.119442 1.072392 0.139272
C -3.425785 -0.903265 0.210703
C 5.207573 0.265442 -0.706900
C -2.427744 -2.045288 0.548023
C -4.891338 -1.272534 0.573544
C 7.520085 0.582685 0.172679
C 5.956462 2.534121 -0.066583
C -0.989700 -1.692545 0.198585
C 3.868022 0.060170 0.016511
C -5.866805 -0.144981 0.270829
C 1.680456 -0.953324 -0.490646
C -0.150523 -1.029007 1.125670
C -0.456026 -1.979851 -1.087083
C 8.332473 0.736481 -1.143078
C 6.572427 3.381284 1.062245
C 1.173660 -0.656353 0.798745
C 0.859404 -1.619354 -1.434322
C -6.122426 0.869636 1.229954
C -6.507948 -0.053441 -0.991996
C -6.989942 1.945922 0.937120
C -7.376767 1.020667 -1.290783
C -7.620382 2.026062 -0.326531
H -3.361337 -0.660258 -0.867944
H -3.131315 0.015853 0.754041
H 5.657567 -0.725361 -0.899100
H 5.013119 0.727402 -1.701724
H -2.511294 -2.276443 1.629050
H -2.738449 -2.959429 0.003497
H -5.175139 -2.185317 0.012984
H -4.931586 -1.532782 1.650248
H 8.050272 1.102985 0.991813
H 7.488134 -0.486142 0.457986
H 6.371509 2.867077 -1.051141
H 4.869790 2.739822 -0.107082
H 4.018022 -0.549008 0.929398
H 3.421503 1.033022 0.308071
H -0.533579 -0.800227 2.128374
H -1.080356 -2.499018 -1.825104
H 7.839288 0.211287 -1.981826
H 8.452091 1.797827 -1.427436
H 9.343543 0.305258 -1.020299
H 6.182428 3.053044 2.042014
H 7.674375 3.305172 1.086205
H 6.317389 4.447544 0.919999
H 1.791796 -0.149746 1.545804
H 1.272644 -1.844830 -2.422487
H -5.640932 0.811069 2.214530
H -6.326739 -0.832168 -1.743872
H -7.177850 2.717739 1.692562
H -7.865232 1.071905 -2.270781
H -8.295465 2.858528 -0.555015


