%chk=000071354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071354

0 1
 O    2.570900      0.2004000     -5.5399999E-02
 O    5.716500       1.815300      0.4744000    
 O    3.573100       2.518100      0.6487000    
 N   -1.327400     -0.4944000      -1.044100    
 N  -3.4600001E-02 -0.1440000      -1.149300    
 C  -0.2728000      -2.106000      4.8000002E-03
 C   -1.538400      -1.662500     -0.3621000    
 C   0.6039000      -1.126800     -0.5102000    
 C    3.986000      0.1996000      2.9100001E-02
 C    2.074000      -1.093200     -0.4137000    
 C   -2.337000      0.3530000      -1.635700    
 C  -0.1463000      -3.302400      0.7302000    
 C   -2.709600      -2.353100     -4.3200001E-02
 C   -2.820700       1.393200     -0.6617000    
 C    4.541000     -0.1729000      -1.342600    
 C    4.394400     -0.7965000       1.110400    
 C   -1.308500      -4.010600       1.060400    
 C   -2.567400      -3.542100      0.6797000    
 C    4.374200       1.621300      0.4134000    
 C   -2.180900       2.623700     -0.6008000    
 C   -3.900200       1.108200      0.1633000    
 C   -2.629000       3.587700      0.3023000    
 C   -4.348400       2.072200       1.066400    
 C   -3.712800       3.311900       1.135900    
 H    2.366100      -1.844300      0.3241000    
 H    2.441200      -1.405700      -1.396000    
 H   -3.162600     -0.2754000      -1.988800    
 H   -1.908100      0.8220000      -2.530100    
 H   0.8255000      -3.680200       1.033100    
 H   -3.689900      -2.007000     -0.3473000    
 H    5.601300      9.2299998E-02  -1.425700    
 H    4.487200      -1.246400      -1.552300    
 H    4.009300      0.3531000      -2.144400    
 H    3.750000     -0.7155000       1.993600    
 H    5.423700     -0.6149000       1.441100    
 H    4.370900      -1.837100      0.7697000    
 H   -1.228000      -4.938600       1.620500    
 H   -3.453400      -4.113100      0.9459000    
 H   -1.335500       2.848800      -1.244800    
 H   -4.415900      0.1551000      0.1135000    
 H   -2.134100       4.552900      0.3566000    
 H   -5.194300       1.858800       1.713300    
 H   -4.062200       4.062600       1.838700    
 H    5.941900       2.737000      0.7232000    


%chk=000071354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071354

0 1
O 2.917932 -0.595556 0.147664
O 6.208002 -0.434237 1.646937
O 4.205514 -1.339526 2.388128
N -1.447101 -0.449360 -1.091195
N -0.186433 -0.178646 -1.646813
C 0.069577 -1.310190 0.357994
C -1.337207 -1.126660 0.120442
C 0.719740 -0.704345 -0.780357
C 4.381294 -0.441453 0.053940
C 2.182058 -0.663921 -1.124441
C -2.652681 -0.035579 -1.810939
C 0.509122 -1.959797 1.544722
C -2.323238 -1.590311 1.025428
C -3.480847 1.027262 -1.089009
C 4.746589 1.018041 -0.310449
C 5.039715 -1.455545 -0.920764
C -0.468374 -2.428979 2.439674
C -1.864219 -2.248474 2.180700
C 4.856291 -0.788780 1.481296
C -2.852420 2.098317 -0.406392
C -4.895001 0.973794 -1.134343
C -3.627764 3.100112 0.216787
C -5.673232 1.979472 -0.516181
C -5.040725 3.046271 0.161735
H 2.471824 -1.584024 -1.675207
H 2.386562 0.210175 -1.775727
H -3.283293 -0.921402 -2.021270
H -2.291123 0.352093 -2.780190
H 1.578629 -2.053872 1.753933
H -3.390981 -1.428769 0.848523
H 5.836927 1.171245 -0.266319
H 4.399294 1.248251 -1.333690
H 4.258789 1.717632 0.388894
H 4.715434 -2.486060 -0.692571
H 6.137330 -1.400460 -0.829042
H 4.771488 -1.220391 -1.965437
H -0.160479 -2.930234 3.363863
H -2.593646 -2.621020 2.909199
H -1.758058 2.137520 -0.358325
H -5.391285 0.143626 -1.653603
H -3.131872 3.921880 0.745597
H -6.767042 1.926642 -0.557757
H -5.641200 3.824288 0.646237
H 6.499211 -0.694531 2.562428


