%chk=000122223.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122223

0 1
 O    1.235200     -0.1064000     -0.3313000    
 O    4.251000      -1.852900      -1.168800    
 O   -1.812300      -2.052200       1.453200    
 O   -5.098900      -2.159100      -1.745000    
 N    3.684800     -0.5358000      0.6482000    
 N   0.6187000      -2.294500      0.1694000    
 N    6.689800     -0.8070000      -1.290700    
 N   -2.770800      -1.333600     -0.5385000    
 N   -2.072400       2.829100       1.605100    
 N   -6.136300      -2.001900      0.2983000    
 C    2.609800      -1.386400       1.142000    
 C    2.339000     -0.8867000       2.556200    
 C    2.721600      0.5899000       2.490100    
 C    3.907600      0.6014000       1.537500    
 C    1.430200      -1.175300      0.2414000    
 C    4.470400     -0.8843000     -0.4395000    
 C    5.647200      1.9700000E-02 -0.7071000    
 C  -0.5950000      -2.342000     -0.6135000    
 C    5.241000       1.132400      -1.652200    
 C   -4.023800     -0.8639000      7.7000000E-03
 C   -4.270900      0.6192000     -0.2964000    
 C   -3.199400       1.518900      0.2504000    
 C   -1.764200      -1.891900      0.2362000    
 C   -2.028000       1.909000     -0.4268000    
 C   -1.327800       2.739800      0.4506000    
 C   -3.216000       2.085500       1.488200    
 C   -5.125400      -1.722200     -0.5969000    
 C   -1.478400       1.648100      -1.697700    
 C  -0.1005000       3.324900      0.1193000    
 C  -0.2515000       2.226500      -2.042800    
 C   0.4252000       3.051600      -1.146700    
 H    2.928400      -2.434400       1.122900    
 H    1.305400      -1.031100       2.885300    
 H    3.000600      -1.400100       3.264500    
 H    2.965600       1.010300       3.469700    
 H    1.893400       1.172000       2.069200    
 H    3.984100       1.537300      0.9801000    
 H    4.840600      0.4276000       2.084500    
 H    6.046500      0.4462000      0.2160000    
 H   0.8591000      -3.119500      0.7111000    
 H  -0.4809000      -1.704300      -1.495600    
 H  -0.7611000      -3.376100     -0.9288000    
 H    6.084600       1.799800      -1.860100    
 H    4.429400       1.739600      -1.239200    
 H    4.883700      0.7352000      -2.610000    
 H   -4.008500      -1.012400       1.094500    
 H   -4.352400      0.7711000      -1.381200    
 H   -5.242900      0.9205000      0.1163000    
 H    7.499600     -0.2319000      -1.519800    
 H    7.012200      -1.491600     -0.6075000    
 H   -2.653500      -1.292900      -1.547000    
 H   -3.925900       2.035800       2.301900    
 H   -1.811500       3.365900       2.420700    
 H   -1.991700       1.009000      -2.410200    
 H   0.4280000       3.965900      0.8169000    
 H   0.1780000       2.027400      -3.021100    
 H    1.378000       3.488400      -1.434700    
 H   -6.143900      -1.637600       1.245600    
 H   -6.925900      -2.578600      2.7400000E-02


%chk=000122223-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122223

0 1
O 2.920424 1.393575 -3.214547
O 1.995133 0.575257 1.201622
O 0.103672 -1.389724 -1.503368
O -4.493147 -0.886433 -2.930242
N 3.888321 0.338885 -0.106068
N 1.308569 1.236003 -1.531934
N 2.865202 -1.377088 2.947396
N -1.899592 -0.261713 -1.879896
N -0.707018 0.610842 2.169024
N -3.991639 -3.096103 -2.402845
C 3.639245 1.619769 -0.846280
C 5.029386 1.981306 -1.403368
C 5.675964 0.599822 -1.678609
C 5.186542 -0.285327 -0.506877
C 2.596468 1.404521 -1.987039
C 3.053036 -0.092371 0.885703
C 3.359367 -1.437794 1.563175
C 0.210552 0.884865 -2.436342
C 2.730224 -2.576741 0.693360
C -2.751056 -1.282084 -1.252748
C -3.483002 -0.733355 0.018188
C -2.571889 -0.055175 1.014543
C -0.525714 -0.362345 -1.914446
C -2.943420 1.024326 1.915829
C -1.748086 1.429031 2.617862
C -1.206838 -0.276516 1.209729
C -3.813891 -1.733551 -2.277479
C -4.163150 1.700834 2.187644
C -1.749492 2.478818 3.563427
C -4.167745 2.748057 3.129899
C -2.973601 3.133661 3.809867
H 3.238861 2.361023 -0.131398
H 4.943657 2.582790 -2.321041
H 5.603053 2.545178 -0.645659
H 6.776681 0.641406 -1.723143
H 5.297776 0.210576 -2.638605
H 5.045098 -1.337424 -0.808333
H 5.892185 -0.255731 0.345806
H 4.455249 -1.589662 1.591216
H 1.174210 1.172713 -0.509388
H -0.489563 1.735032 -2.554946
H 0.659886 0.674975 -3.425137
H 2.900474 -3.549899 1.189534
H 3.169723 -2.625323 -0.320294
H 1.644671 -2.419322 0.572192
H -2.075353 -2.111197 -0.976150
H -4.256368 -0.015332 -0.320545
H -4.033040 -1.582838 0.474315
H 2.882729 -2.278344 3.432986
H 1.962740 -0.896751 3.027138
H -2.372082 0.573989 -2.233871
H -0.537334 -0.975151 0.711997
H 0.301639 0.754437 2.287593
H -5.089729 1.414322 1.676208
H -0.835472 2.775220 4.090061
H -5.101533 3.278325 3.348854
H -3.010302 3.951783 4.538152
H -3.396739 -3.764465 -1.916146
H -4.705039 -3.442182 -3.045276


