%chk=000121092.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121092

0 1
 O   -6.512400       1.558600      0.1442000    
 O   -7.343600      -1.093500      0.1008000    
 N   0.2720000      0.5668000      8.8600002E-02
 N    3.104500      0.1974000      8.2900003E-02
 C   0.8903000     -0.4260000     -0.7985000    
 C    1.035700      0.6637000       1.338800    
 C    2.330800     -3.7300002E-02  -1.140200    
 C    2.480500       1.089800       1.067900    
 C   -1.119800      0.2126000      0.3642000    
 C    4.502000      0.1373000      4.2300001E-02
 C   -1.946800      0.2003000     -0.9220000    
 C    5.201800      -1.065400      0.2723000    
 C   -3.389900     -0.1418000     -0.6489000    
 C    5.255600       1.296200     -0.2340000    
 C    6.595400      -1.106600      0.2277000    
 C    6.649200       1.255100     -0.2788000    
 C    7.319000      5.3599998E-02 -4.8000000E-02
 C    4.451800      -2.323000      0.5697000    
 C   -4.291200      0.8760000     -0.3762000    
 C   -3.791300      -1.468800     -0.6739000    
 C   -5.625700      0.5594000     -0.1227000    
 C    8.808900      9.8999999E-03 -9.5700003E-02
 C   -5.125800      -1.785600     -0.4203000    
 C   -6.043000     -0.7714000     -0.1448000    
 C   -6.005000       2.891500      0.1477000    
 C   -7.703200      -1.348700       1.457200    
 H   0.3803000     -0.4980000      -1.762200    
 H   0.8766000      -1.423400     -0.3387000    
 H    1.030900     -0.2970000       1.871500    
 H   0.5790000       1.407500       2.002800    
 H    2.343600      0.8696000      -1.758200    
 H    2.783200     -0.8423000      -1.731900    
 H    3.035700       1.062700       2.013800    
 H    2.502500       2.123000      0.6986000    
 H   -1.186700     -0.7617000      0.8676000    
 H   -1.552800      0.9519000       1.050900    
 H   -1.588600     -0.5347000      -1.649600    
 H   -1.886800       1.174700      -1.425100    
 H    4.754200       2.242900     -0.4239000    
 H    7.122300      -2.041400      0.4040000    
 H    7.201300       2.165200     -0.4978000    
 H    5.122600      -3.134200      0.8733000    
 H    3.746100      -2.168500       1.392800    
 H    3.904900      -2.659900     -0.3166000    
 H   -3.906100       1.889800     -0.3708000    
 H   -3.084400      -2.266300     -0.8848000    
 H    9.144700     -0.2645000      -1.100600    
 H    9.243200      0.9810000      0.1651000    
 H    9.204400     -0.7197000      0.6193000    
 H   -5.443900      -2.824500     -0.4392000    
 H   -5.630500       3.183800     -0.8393000    
 H   -5.260200       3.038000      0.9374000    
 H   -6.845300       3.555100      0.3773000    
 H   -8.770800      -1.582400       1.490500    
 H   -7.518700     -0.4660000       2.077600    
 H   -7.144700      -2.205700       1.847000    


%chk=000121092-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121092

0 1
O -6.543808 1.595430 0.227042
O -7.565571 -1.059822 0.330873
N 0.288996 0.175324 0.052150
N 3.180506 -0.005110 0.238858
C 1.044127 -0.844165 -0.718032
C 1.012637 0.500023 1.307577
C 2.466839 -0.345609 -1.019720
C 2.431089 1.014064 1.003782
C -1.120568 -0.206627 0.310015
C 4.608624 0.119482 0.172623
C -1.994369 -0.211175 -0.973029
C 5.419985 -1.034980 -0.087801
C -3.466039 -0.419182 -0.647536
C 5.252967 1.362616 0.419976
C 6.824988 -0.880027 -0.132536
C 6.658422 1.480043 0.384694
C 7.473290 0.362088 0.088433
C 4.810455 -2.417575 -0.241005
C -4.296084 0.694593 -0.358490
C -4.029255 -1.715493 -0.587271
C -5.657913 0.528370 -0.016761
C 8.986256 0.479687 0.010830
C -5.383154 -1.891783 -0.226032
C -6.209952 -0.788147 0.068743
C -6.028995 2.954884 0.051592
C -8.163273 -0.463497 1.542859
H 0.525215 -1.036468 -1.673859
H 1.107954 -1.812231 -0.156181
H 1.092244 -0.392542 1.978957
H 0.449710 1.285714 1.845878
H 2.400289 0.551438 -1.679518
H 3.024650 -1.123454 -1.563942
H 2.960999 1.211551 1.952587
H 2.343636 1.975595 0.442361
H -1.200077 -1.206448 0.810099
H -1.544177 0.535408 1.013874
H -1.652306 -1.009772 -1.657525
H -1.834457 0.754211 -1.488883
H 4.651473 2.253127 0.629581
H 7.439187 -1.771462 -0.320955
H 7.123670 2.454510 0.578885
H 5.518357 -3.193772 0.098757
H 3.882321 -2.496410 0.353506
H 4.552466 -2.655063 -1.292501
H -3.866190 1.700120 -0.424454
H -3.410682 -2.589969 -0.820029
H 9.338027 0.468279 -1.039408
H 9.341354 1.419981 0.467674
H 9.486423 -0.359138 0.529402
H -5.835087 -2.887376 -0.173178
H -5.665288 3.114317 -0.981814
H -5.215704 3.176592 0.770039
H -6.887114 3.614330 0.248934
H -9.189871 -0.859785 1.574923
H -8.172755 0.636777 1.480247
H -7.608666 -0.786374 2.445811


