%chk=000060354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060354

2 1
 O   -2.655700      -1.649600      0.1261000    
 O    2.752600      -1.510200      9.4400004E-02
 N   -5.464800      0.8039000      1.2000001E-03
 N    5.417800       1.054900      3.5599999E-02
 N  -0.6609000     -0.4637000      7.3299997E-02
 N   0.6986000     -0.4287000      6.4800002E-02
 C   -4.793900     -0.5595000      8.6400002E-02
 C    4.832600     -0.3096000      5.0500002E-02
 C   -5.075600       1.637700       1.213400    
 C   -6.975900      0.6245000     -2.7100001E-02
 C    5.002900       1.811600      -1.233400    
 C    6.950600      0.9902000      7.3500000E-02
 C   -5.014200       1.512700      -1.267900    
 C    4.943700       1.864100       1.250500    
 C   -3.288900     -0.3776000      8.3099999E-02
 C    3.320300     -0.2055000      4.3600000E-02
 C   -5.745500       2.991300       1.123100    
 C   -7.356700     -0.2049000      -1.234000    
 C    5.459000       1.034100      -2.448700    
 C    7.389400      0.3164000       1.355200    
 C   -1.285300      -1.658200      0.1204000    
 C    1.387000      -1.589300      0.1035000    
 C  -0.6104000      -2.860200      0.1606000    
 C   0.7729000      -2.824600      0.1518000    
 H   -5.069200      -1.170300     -0.7778000    
 H   -5.140600      -1.065200      0.9953000    
 H    5.114100     -0.8172000      0.9793000    
 H    5.228100     -0.9254000     -0.7629000    
 H   -5.373600       1.096200       2.117700    
 H   -3.996500       1.803600       1.218200    
 H   -7.284900      0.1444000      0.9077000    
 H   -7.457900       1.601100     -0.1176000    
 H    5.498000       2.790000      -1.201100    
 H    3.925400       1.995300      -1.229100    
 H    7.308800      0.3913000     -0.7667000    
 H    7.342400       2.010600      9.9999997E-05
 H   -4.898000      0.7828000      -2.075300    
 H   -5.762400       2.256800      -1.559000    
 H   -4.056600       2.012500      -1.089700    
 H    5.615800       2.717700       1.385000    
 H    4.936800       1.226900       2.139200    
 H    3.936600       2.246100       1.057700    
 H   -2.953800      0.1673000      0.9692000    
 H   -2.949300      0.1389000     -0.8201000    
 H    2.958200      0.2637000     -0.8752000    
 H    2.953100      0.3499000      0.9122000    
 H   -5.357600       3.621200       1.933400    
 H   -5.542500       3.536200      0.1984000    
 H   -6.825400       2.947300       1.287700    
 H   -8.451000     -0.2117000      -1.313400    
 H   -6.991300      0.1854000      -2.186400    
 H   -7.071500      -1.256000      -1.139900    
 H    5.155700       1.598000      -3.340100    
 H    6.541700      0.9274000      -2.536500    
 H    4.984600      5.6000002E-02  -2.553900    
 H    8.485800      0.3330000       1.393300    
 H    7.054400      0.8237000       2.262700    
 H    7.113400     -0.7397000       1.408400    
 H   -1.139700      -3.805900      0.1977000    
 H    1.350200      -3.742200      0.1824000    


%chk=000060354-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060354

2 1
O -2.670894 -1.249635 0.044747
O 2.791438 -1.179978 0.135664
N -5.833245 0.803071 -0.147022
N 5.892343 0.970511 0.165433
N -0.645366 -0.042464 0.043460
N 0.736877 -0.024824 0.065966
C -4.825722 -0.342816 0.064795
C 4.923435 -0.221613 0.115686
C -5.562764 1.916297 0.910847
C -7.273112 0.240794 0.068970
C 5.625202 1.985321 -0.988240
C 7.355028 0.440932 0.031920
C -5.705780 1.373982 -1.558084
C 5.744943 1.726801 1.486274
C -3.342396 0.068228 0.020986
C 3.431239 0.152719 0.098396
C -6.556648 3.082793 0.916262
C -7.664800 -0.934924 -0.832048
C 5.689063 1.410399 -2.406565
C 7.834823 -0.473166 1.164547
C -1.278352 -1.239503 0.069435
C 1.399032 -1.205280 0.112301
C -0.620204 -2.504421 0.117898
C 0.772318 -2.486652 0.140360
H -5.004395 -1.089853 -0.724049
H -5.058244 -0.803854 1.039933
H 5.127108 -0.842361 1.002080
H 5.169041 -0.812728 -0.780982
H -5.553738 1.401338 1.887929
H -4.545662 2.288959 0.703797
H -7.325337 -0.041533 1.135403
H -7.952009 1.091497 -0.098599
H 6.376105 2.783373 -0.853195
H 4.632539 2.422535 -0.786531
H 7.399139 -0.088059 -0.933602
H 7.986667 1.344100 -0.037263
H -5.693455 0.549359 -2.284955
H -6.563318 2.030592 -1.762237
H -4.774354 1.953289 -1.638275
H 6.559861 2.462445 1.567351
H 5.798055 1.019390 2.325553
H 4.778106 2.250762 1.503201
H -3.014627 0.660326 0.892481
H -3.057492 0.610423 -0.899216
H 3.116323 0.685671 -0.816115
H 3.108672 0.741362 0.976036
H -6.197152 3.817770 1.658262
H -6.610682 3.611479 -0.050260
H -7.572465 2.792640 1.228128
H -8.718826 -1.179721 -0.610718
H -7.618582 -0.691010 -1.906640
H -7.082061 -1.850205 -0.640225
H 5.449223 2.230096 -3.106793
H 6.689694 1.042517 -2.684259
H 4.949454 0.611752 -2.585084
H 8.875323 -0.762152 0.932607
H 7.857492 0.023984 2.147911
H 7.259304 -1.410302 1.242149
H -1.196483 -3.431872 0.136949
H 1.371217 -3.399082 0.178039


