%chk=000121431.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121431

0 1
 O  -0.8654000       2.778200       1.228000    
 O   -5.260300      0.3970000      0.4760000    
 O   -1.818400      -2.549800      -1.076200    
 O   -4.488800      -2.070900     -0.5169000    
 N    4.781500     -0.9119000      0.5285000    
 N   0.4697000       1.872700     -0.4378000    
 C    2.899500       2.173100     -0.6803000    
 C    3.192900      0.9163000      0.1479000    
 C    1.554500       2.818200     -0.3165000    
 C    4.508900      0.2691000     -0.2822000    
 C    6.041300      -1.536800      0.1215000    
 C    3.681800      -1.872700      0.4258000    
 C    1.280100       4.032900      -1.197300    
 C    7.199200     -0.5650000      0.2176000    
 C    3.914300      -3.079000       1.312000    
 C  -0.6642000       1.935600      0.3574000    
 C   -1.677500      0.8738000      0.1272000    
 C   -1.263400     -0.3454000     -0.3681000    
 C   -2.999900       1.141200      0.4140000    
 C   -3.951200      0.1446000      0.1959000    
 C   -2.214700      -1.341900     -0.5863000    
 C   -3.558600      -1.097000     -0.3043000    
 C   -5.576400       1.691700      0.9839000    
 C  -0.4265000      -2.717900      -1.337600    
 C   -4.758100      -2.956100      0.5678000    
 H    3.705100       2.903700     -0.5360000    
 H    2.899400       1.904200      -1.745000    
 H    2.351600      0.2403000     -1.6899999E-02
 H    3.219200       1.173000       1.214000    
 H    1.599500       3.154700      0.7268000    
 H    5.284500       1.030000     -0.1451000    
 H    4.471500      2.0400001E-02  -1.351000    
 H    6.293100      -2.364500      0.7926000    
 H    5.985400      -1.942400     -0.8967000    
 H    3.508800      -2.194100     -0.6089000    
 H    2.747100      -1.453300      0.8062000    
 H    2.082500       4.772100      -1.104700    
 H   0.3403000       4.519400     -0.9140000    
 H    1.197500       3.748300      -2.252300    
 H   0.5121000       1.227400      -1.219900    
 H    8.145200      -1.112300      0.1344000    
 H    7.212300     -3.9799999E-02   1.178900    
 H    7.196900      0.1723000     -0.5914000    
 H    2.988800      -3.660800       1.393200    
 H    4.205500      -2.788600       2.327400    
 H    4.671100      -3.757400      0.9062000    
 H  -0.2085000     -0.5187000     -0.5331000    
 H   -3.249800       2.125300      0.7930000    
 H   -5.351300       2.477800      0.2551000    
 H   -5.101500       1.872200       1.954400    
 H   -6.658300       1.715900       1.151600    
 H  -7.2899997E-02  -2.028900      -2.112400    
 H  -0.2941000      -3.731000      -1.731900    
 H   0.1678000      -2.656900     -0.4193000    
 H   -5.517900      -3.672900      0.2443000    
 H   -3.855100      -3.507200      0.8489000    
 H   -5.143900      -2.403200       1.430100    


%chk=000121431-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121431

0 1
O -0.621470 2.660221 1.162591
O -5.219836 0.278058 1.018815
O -2.364771 -2.579033 -1.541789
O -4.770976 -2.036361 -0.516051
N 5.024217 -0.925140 0.455905
N 0.489050 1.794017 -0.689385
C 2.937425 2.023685 -1.004943
C 3.361005 0.918884 -0.012399
C 1.623029 2.741329 -0.610434
C 4.598800 0.133509 -0.496815
C 6.477537 -1.232639 0.364835
C 4.175054 -2.144277 0.366609
C 1.356095 3.993545 -1.478987
C 7.361960 -0.156369 1.023586
C 4.161842 -2.967542 1.669033
C -0.561396 1.808319 0.215984
C -1.632118 0.766344 0.017239
C -1.426050 -0.423558 -0.724194
C -2.880291 1.011602 0.628022
C -3.936581 0.087818 0.481169
C -2.477405 -1.361554 -0.857742
C -3.751880 -1.116169 -0.262519
C -5.466404 1.530336 1.742236
C -1.091589 -2.860405 -2.204982
C -5.465724 -2.629298 0.647237
H 3.738045 2.786545 -1.077620
H 2.827121 1.597750 -2.027191
H 2.509363 0.230135 0.152341
H 3.593876 1.364177 0.973315
H 1.671580 3.054296 0.448976
H 5.437491 0.844510 -0.618638
H 4.396981 -0.289224 -1.516982
H 6.652164 -2.191976 0.884886
H 6.796905 -1.388063 -0.698290
H 4.486946 -2.795262 -0.491318
H 3.140628 -1.818674 0.151112
H 2.170316 4.731393 -1.356776
H 0.408502 4.471583 -1.177299
H 1.291446 3.729793 -2.552081
H 0.416241 1.212835 -1.526573
H 8.428873 -0.442749 0.964546
H 7.083523 -0.037431 2.085018
H 7.253064 0.827509 0.532089
H 3.500005 -3.847858 1.564247
H 3.796480 -2.345963 2.504570
H 5.168579 -3.337261 1.935336
H -0.439682 -0.656085 -1.136313
H -2.983966 1.933022 1.207088
H -5.305848 2.406777 1.086322
H -4.819686 1.613151 2.636354
H -6.521982 1.480116 2.047208
H -0.853862 -2.092369 -2.967603
H -1.236078 -3.834610 -2.694418
H -0.258818 -2.931302 -1.476843
H -6.170967 -3.352903 0.211385
H -4.741361 -3.155624 1.297737
H -6.003201 -1.856559 1.220895


