%chk=000060330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060330

0 1
 O    3.728600      -1.109600     -0.3572000    
 O   -1.575300      0.3734000      -1.756500    
 O    5.660300      -2.768200      0.8052000    
 N   -5.152800      -1.471900      0.4275000    
 N   -1.468100      -1.112900      2.0099999E-02
 N    3.041600       1.073600      2.2100000E-02
 C   -3.827800     -0.9036000      0.6399000    
 C   -2.786600      -1.678300     -0.1545000    
 C   -6.057700      -1.092600       1.514400    
 C   -5.699100      -1.040500     -0.8607000    
 C   -6.256200      0.4128000       1.563300    
 C   -7.052000      -1.679400      -1.124900    
 C   0.4124000      0.3371000     -0.5131000    
 C  -0.9457000     -0.1124000     -0.8038000    
 C   0.7141000       1.664500     -0.1801000    
 C    2.060300       1.993600      8.3300002E-02
 C    1.421400     -0.6131000     -0.5771000    
 C    2.708400     -0.1965000     -0.3029000    
 C  -0.2848000       2.650100     -0.1068000    
 C    2.359400       3.312300      0.4142000    
 C   4.2599998E-02   3.961300      0.2263000    
 C    1.366500       4.292400      0.4870000    
 C    5.035000     -0.6278000     -6.6000000E-02
 C    6.017900      -1.779500     -0.1528000    
 C    6.537400      -3.884700      0.7532000    
 H   -3.541800     -0.9704000       1.698600    
 H   -3.779000      0.1600000      0.3719000    
 H   -3.001800      -1.688600      -1.226800    
 H   -2.736200      -2.718300      0.1872000    
 H   -7.021300      -1.608500       1.447300    
 H   -5.636200      -1.430100       2.470300    
 H   -5.045100      -1.389800      -1.667500    
 H   -5.755900      4.7100000E-02 -0.9813000    
 H  -0.9043000      -1.462200      0.7898000    
 H   -6.870200      0.6533000       2.439900    
 H   -6.801400      0.8073000      0.7016000    
 H   -5.326200      0.9747000       1.685800    
 H   -7.326400      -1.534400      -2.176000    
 H   -7.852600      -1.232100     -0.5282000    
 H   -7.033300      -2.759100     -0.9407000    
 H    1.219200      -1.647200     -0.8374000    
 H   -1.332000       2.426700     -0.2908000    
 H    3.389000       3.597100      0.6232000    
 H  -0.7320000       4.719800      0.2851000    
 H    1.630900       5.312900      0.7485000    
 H    5.053700     -0.2191000      0.9520000    
 H    5.322700      0.1480000     -0.7853000    
 H    7.033900      -1.420500      4.5299999E-02
 H    5.978700      -2.224700      -1.153800    
 H    6.219900      -4.607300       1.509800    
 H    7.564100      -3.576900      0.9738000    
 H    6.490200      -4.364700     -0.2290000    


%chk=000060330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060330

0 1
O 3.679970 -1.088276 -0.329601
O -1.798842 0.791307 -1.669616
O 5.665522 -2.656624 1.274333
N -5.175977 -1.429968 0.306911
N -1.435106 -1.016115 -0.250817
N 3.159150 1.209912 -0.150187
C -3.802792 -0.970691 0.608891
C -2.795523 -1.553967 -0.419755
C -5.996582 -1.757550 1.498784
C -5.849723 -0.597869 -0.724768
C -6.420496 -0.561633 2.396793
C -7.052363 -1.300917 -1.380856
C 0.410767 0.539679 -0.630608
C -1.024393 0.137872 -0.899605
C 0.786760 1.927900 -0.445518
C 2.188094 2.206875 -0.192997
C 1.401367 -0.442141 -0.588858
C 2.760825 -0.049766 -0.347397
C -0.139368 3.018994 -0.478539
C 2.608069 3.555056 0.023976
C 0.299788 4.329329 -0.262128
C 1.679262 4.599665 -0.007858
C 5.090106 -0.720006 -0.050551
C 5.894493 -2.007125 -0.016922
C 6.338855 -3.949099 1.368894
H -3.523083 -1.314445 1.623387
H -3.705327 0.139959 0.602736
H -3.125503 -1.297533 -1.440295
H -2.771749 -2.653919 -0.329300
H -6.901369 -2.294572 1.158354
H -5.420658 -2.481544 2.107175
H -5.100971 -0.370468 -1.505802
H -6.173164 0.391081 -0.314235
H -0.812866 -1.441641 0.438541
H -6.994526 -0.925661 3.269350
H -7.060241 0.153385 1.848646
H -5.539858 -0.010849 2.776018
H -7.445834 -0.684739 -2.210061
H -7.880177 -1.464462 -0.667303
H -6.746723 -2.282051 -1.785342
H 1.186643 -1.498673 -0.769902
H -1.188309 2.812005 -0.705512
H 3.671168 3.731421 0.213821
H -0.417721 5.156282 -0.294767
H 2.008949 5.631129 0.159645
H 5.150084 -0.189597 0.915776
H 5.444625 -0.039610 -0.846817
H 6.975375 -1.764217 -0.136669
H 5.588616 -2.671192 -0.854738
H 6.103868 -4.346436 2.368632
H 7.441253 -3.847408 1.264246
H 5.972034 -4.657991 0.595816


