%chk=000042822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042822

0 1
 O    1.397500      -1.086200      0.4661000    
 O    2.686900      -1.366800      -1.426600    
 N   0.7178000       2.309600     -0.9396000    
 C  -0.7458000       1.756000      0.9896000    
 C    1.461100       1.247300     -0.2397000    
 C  -0.6172000      0.2207000      0.7773000    
 C   0.6163000     -4.5499999E-02 -0.1238000    
 C   0.4423000       2.198600       1.869000    
 C    1.755500       1.804500       1.173700    
 C  -0.6244000       2.498600     -0.3618000    
 C   -1.925600     -0.4160000      0.3333000    
 C   0.6869000       2.153900      -2.386300    
 C   -2.823500     -0.8903000       1.286200    
 C   -2.219500     -0.5210000      -1.023800    
 C    2.531700      -1.435400     -0.2151000    
 C   -4.023200      -1.474000      0.8793000    
 C   -3.419400      -1.104600      -1.430700    
 C    3.569000      -1.921600      0.7697000    
 C   -4.321200      -1.581000     -0.4791000    
 C    4.854900      -2.346700      8.2400002E-02
 H   -1.689400       2.015900       1.482900    
 H    2.425500       1.078500     -0.7298000    
 H  -0.4009000     -0.2312000       1.758000    
 H   0.3429000     -0.3951000      -1.121500    
 H   0.3877000       1.735000       2.860900    
 H   0.4129000       3.283700       2.026000    
 H    2.414900       2.679500       1.112100    
 H    2.286900       1.059700       1.777600    
 H   -1.416800       2.166300      -1.041200    
 H  -0.7807000       3.572800     -0.2060000    
 H   0.1480000       1.258100      -2.708500    
 H    1.704400       2.103200      -2.788900    
 H   0.2095000       3.023300      -2.851900    
 H   -2.605500     -0.8102000       2.347700    
 H   -1.565300     -0.1383000      -1.797800    
 H   -4.726000      -1.843800       1.620100    
 H   -3.655400      -1.181700      -2.488100    
 H    3.785000      -1.111600       1.473900    
 H    3.153200      -2.773100       1.318700    
 H   -5.256300      -2.033500     -0.7959000    
 H    5.298500      -1.512800     -0.4716000    
 H    5.584600      -2.694400      0.8201000    
 H    4.671000      -3.160000     -0.6274000    


%chk=000042822-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042822

0 1
O 1.681386 -0.707093 0.676632
O 2.746315 -1.191541 -1.345517
N 0.573380 2.554701 -0.957895
C -0.843350 1.919931 0.966599
C 1.454321 1.664329 -0.155523
C -0.509999 0.386730 0.829093
C 0.780074 0.267933 -0.026097
C 0.240407 2.578314 1.861619
C 1.649228 2.294894 1.242426
C -0.819713 2.602234 -0.422433
C -1.697970 -0.443691 0.346433
C 0.665159 2.441082 -2.420438
C -2.573041 -1.012684 1.309203
C -2.003642 -0.638279 -1.026642
C 2.628916 -1.371261 -0.110715
C -3.713137 -1.750034 0.921426
C -3.142387 -1.376601 -1.421077
C 3.459880 -2.312654 0.748960
C -4.004064 -1.934948 -0.450026
C 4.489594 -3.114653 -0.066265
H -1.846281 2.034867 1.416842
H 2.418253 1.560081 -0.683872
H -0.248729 0.033104 1.845814
H 0.600537 -0.136755 -1.037177
H 0.174020 2.180055 2.891692
H 0.051574 3.666241 1.918840
H 2.225659 3.229290 1.133042
H 2.235461 1.604579 1.876919
H -1.535427 2.089560 -1.105753
H -1.158767 3.654953 -0.331777
H 0.197249 1.516684 -2.844641
H 1.724783 2.454833 -2.730524
H 0.162908 3.308378 -2.888351
H -2.349873 -0.882638 2.376098
H -1.349529 -0.224341 -1.803026
H -4.367799 -2.185402 1.685096
H -3.355179 -1.517058 -2.487060
H 3.955745 -1.705400 1.531108
H 2.764107 -2.982518 1.289035
H -4.884821 -2.510138 -0.756715
H 5.185687 -2.442210 -0.596118
H 5.075676 -3.773690 0.598390
H 3.992187 -3.738784 -0.828126


