%chk=000054696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054696

0 1
 O   -5.413800       2.314600       1.089100    
 O   0.1258000      -2.094800       1.995500    
 O    2.446400       3.623000      -2.129800    
 O    3.385600       2.007500     -0.8410000    
 N   -2.490800      0.2392000      0.2576000    
 N  -0.1969000     -3.1199999E-02  0.9403000    
 N   -2.262700      -1.994400     -0.3200000    
 N   -3.020300     -0.5744000      -1.919900    
 C   -1.585600      9.2200004E-02   1.395700    
 C   0.3124000       1.048100      9.3000002E-02
 C   -2.608000     -0.7274000     -0.6841000    
 C   -3.368200       1.401400      0.2507000    
 C    1.015600       2.146200      0.8897000    
 C   -2.436500      -2.897200      -1.416700    
 C   -2.952900      -1.947700      -2.505300    
 C   0.5331000      -1.176000       1.285700    
 C    1.522900       3.310900      3.5399999E-02
 C   -4.596600       1.151700       1.111100    
 C    1.894400      -1.323800      0.7482000    
 C    2.557500       2.895400     -0.9873000    
 C    2.968900     -0.8184000       1.464300    
 C    2.079800      -1.967800     -0.4658000    
 C    4.259300     -0.9606000      0.9546000    
 C    3.370400      -2.110000     -0.9755000    
 C    4.460200      -1.606400     -0.2654000    
 H   -1.882900     -0.7519000       2.027100    
 H   -1.619600      0.9783000       2.041200    
 H  -0.5034000       1.486500     -0.4899000    
 H    1.002400      0.6269000     -0.6431000    
 H   -3.674200       1.662900     -0.7701000    
 H   -2.833700       2.288500      0.6143000    
 H    1.852500       1.726400       1.456000    
 H   0.3191000       2.547500       1.636500    
 H   -1.489400      -3.362300      -1.705200    
 H   -3.167500      -3.676700      -1.183200    
 H   -2.003400      -2.310100      0.6053000    
 H   -2.281900      -1.942100      -3.370800    
 H   -3.949500      -2.247400      -2.846300    
 H    1.974900       4.077600      0.6736000    
 H   0.6709000       3.764600     -0.4844000    
 H   -5.182200      0.3024000      0.7438000    
 H   -4.320800      0.9488000       2.150700    
 H    2.822800     -0.3212000       2.419100    
 H    1.235900      -2.362200      -1.025100    
 H   -5.686000       2.464900      0.1677000    
 H    5.107900     -0.5694000       1.508100    
 H    3.526600      -2.612400      -1.925600    
 H    5.465000      -1.716900     -0.6624000    
 H    3.107200       3.350700      -2.801700    


%chk=000054696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054696

0 1
O -4.833452 2.884708 0.489334
O 0.120202 -2.463490 0.726009
O 3.023527 4.558118 -0.852360
O 3.478946 2.795287 0.585492
N -2.389680 -0.006112 0.116219
N 0.062368 -0.137064 0.623862
N -2.535230 -2.408597 -0.245020
N -4.023349 -0.992525 -1.327446
C -1.352205 -0.153514 1.129291
C 0.514963 1.128800 -0.002236
C -2.988101 -1.113510 -0.504381
C -3.016088 1.310683 -0.124569
C 0.621269 2.314081 0.989154
C -3.268411 -3.336248 -1.135454
C -4.381979 -2.390297 -1.732940
C 0.736344 -1.355511 0.524566
C 1.146935 3.593223 0.306285
C -4.272079 1.547899 0.746512
C 2.204831 -1.393669 0.198081
C 2.644971 3.564281 0.056788
C 3.146406 -0.460647 0.704648
C 2.663984 -2.491228 -0.577912
C 4.520615 -0.609952 0.416810
C 4.035241 -2.633407 -0.872166
C 4.968285 -1.690903 -0.376514
H -1.474375 -1.100148 1.679177
H -1.449653 0.683191 1.842315
H -0.206943 1.385356 -0.804964
H 1.487569 0.955522 -0.487968
H -3.309024 1.357606 -1.189332
H -2.284390 2.114459 0.076428
H 1.287749 2.041446 1.827476
H -0.371038 2.538836 1.422185
H -2.603289 -3.742117 -1.925107
H -3.694671 -4.186477 -0.572872
H -1.600578 -2.617672 0.146757
H -4.442371 -2.468559 -2.833815
H -5.379755 -2.647206 -1.326069
H 0.947267 4.478493 0.941770
H 0.632986 3.792261 -0.652454
H -5.009092 0.747194 0.546501
H -4.016981 1.553898 1.820380
H 2.828929 0.377351 1.331331
H 1.933736 -3.227937 -0.927387
H -5.270747 2.876893 -0.399068
H 5.232432 0.121460 0.812519
H 4.377777 -3.478627 -1.479062
H 6.034882 -1.803011 -0.601572
H 4.011968 4.540881 -0.973518


