%chk=000040941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040941

0 1
 O   -2.457300       3.198400     -0.2809000    
 O   -2.407500       2.817800       1.959500    
 O    7.395700      -1.371400       1.855000    
 O    8.241000     -0.1639000      0.1246000    
 N   -4.108600      0.4402000       1.310300    
 C   -3.099600      0.4094000     -0.6666000    
 C   -3.866600     -0.7824000     -0.5400000    
 C   -4.489600     -0.7382000      0.7092000    
 C   -3.268700       1.140600      0.4866000    
 C   -2.271000      0.7898000      -1.830800    
 C  -0.8233000      0.5763000      -1.440800    
 C   -4.091300      -1.898100      -1.370700    
 C   -5.329500      -1.757900       1.170800    
 C   -4.535500      0.8756000       2.624400    
 C   -2.692200       2.410100      0.8145000    
 C  -0.4657000     -0.5884000     -0.7851000    
 C   0.1087000       1.551300      -1.749000    
 C   -4.929000      -2.925800     -0.9220000    
 C   -5.537600      -2.854600      0.3295000    
 C    1.821500      0.1872000     -0.7279000    
 C   0.8677000     -0.7844000     -0.4257000    
 C    1.442100       1.355000      -1.389600    
 C    3.204900     -1.6300000E-02 -0.3559000    
 C    3.520200     -0.7735000      0.7722000    
 C    4.223500      0.5450000      -1.126000    
 C    4.854000     -0.9696000       1.130200    
 C    5.557400      0.3489000     -0.7683000    
 C    5.872700     -0.4085000      0.3600000    
 C    7.263500     -0.6128000      0.7325000    
 H   -2.469700       1.811700      -2.165900    
 H   -2.484300      0.1522000      -2.697400    
 H   -3.625000      -1.972900      -2.348800    
 H   -5.807300      -1.720600       2.143400    
 H   -3.704600      0.7279000       3.318700    
 H   -4.820000       1.929800       2.573800    
 H   -5.403900      0.3041000       2.955300    
 H   -1.168100      -1.384600     -0.5659000    
 H  -0.1781000       2.466100      -2.259200    
 H   -5.105500      -3.789100      -1.558200    
 H   -6.183500      -3.664800      0.6583000    
 H    1.123100      -1.725100      5.4600000E-02
 H    2.143400       2.152700      -1.618500    
 H    2.760200      -1.203900       1.418600    
 H    4.027500       1.115800      -2.029600    
 H   -2.059600       4.059100     -2.9500000E-02
 H    5.055100      -1.560100       2.019700    
 H    6.336800      0.7888000      -1.385000    
 H    8.337000      -1.502700       2.097900    


%chk=000040941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040941

0 1
O -2.363523 3.222275 0.020993
O -3.560745 3.214154 2.006653
O 7.865252 -1.427759 1.692089
O 8.585402 -0.353067 -0.236222
N -4.553672 0.521794 1.324751
C -3.233374 0.498214 -0.579296
C -3.945559 -0.749986 -0.487468
C -4.761453 -0.707048 0.701246
C -3.625721 1.263570 0.544963
C -2.246058 0.853971 -1.666892
C -0.776914 0.616699 -1.298235
C -3.967912 -1.910510 -1.312382
C -5.595198 -1.793177 1.068137
C -5.218157 0.963049 2.561799
C -3.220233 2.606628 0.954044
C -0.365142 -0.540079 -0.587908
C 0.219511 1.540796 -1.699954
C -4.792063 -2.985836 -0.947833
C -5.598215 -2.923866 0.232792
C 1.998049 0.158088 -0.699653
C 0.994019 -0.764011 -0.293020
C 1.580493 1.316330 -1.411149
C 3.434434 -0.077175 -0.386619
C 3.824223 -0.768703 0.796497
C 4.462087 0.384180 -1.259968
C 5.179328 -0.992516 1.098006
C 5.818212 0.166103 -0.964519
C 6.190288 -0.525126 0.218453
C 7.633226 -0.733070 0.490094
H -2.367897 1.910209 -1.956557
H -2.486295 0.244264 -2.561381
H -3.351972 -1.962995 -2.217327
H -6.221858 -1.768538 1.965051
H -4.476715 1.263107 3.317783
H -5.873682 1.829446 2.372547
H -5.822552 0.129582 2.951606
H -1.114661 -1.270146 -0.262421
H -0.077958 2.452680 -2.231057
H -4.824746 -3.886778 -1.569687
H -6.233074 -3.778753 0.491087
H 1.282757 -1.682537 0.230479
H 2.322256 2.066823 -1.707096
H 3.056474 -1.105714 1.500990
H 4.190816 0.890295 -2.192501
H -2.111827 4.112645 0.387332
H 5.469141 -1.516894 2.012730
H 6.607250 0.513591 -1.639539
H 8.847363 -1.530009 1.810862


