%chk=000094051.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094051

0 1
 O   -3.470800     -0.1921000       1.823100    
 O    3.343500      0.4758000       1.827300    
 N  -4.9199998E-02 -0.1149000      0.8428000    
 C   -2.464800     -0.2569000      0.7614000    
 C    2.362200      9.7300000E-02  0.8056000    
 C   -1.109800     -0.5749000       1.480500    
 C    1.117300     -0.3919000       1.467600    
 C   -2.453600       1.200500      0.1902000    
 C   -2.924500      -1.286300     -0.2153000    
 C    2.201100       1.406300     -3.8100000E-02
 C    3.122800     -0.9855000     -3.2000002E-02
 C   -1.187100      -1.265000       2.639000    
 C    1.211500      -1.089000       2.661200    
 C   3.2499999E-02  -1.530600       3.251600    
 C   -2.229400       1.346100      -1.142800    
 C   -4.203500      -1.203100     -0.7658000    
 C   -2.668700       2.216200       1.067800    
 C   -2.075800      -2.332000     -0.5780000    
 C    2.112000       1.270900      -1.387700    
 C    4.377100     -0.6776000     -0.4552000    
 C    2.162200       2.584100      0.6395000    
 C    2.473600      -2.154500     -0.2753000    
 C   -2.219300       2.644600      -1.651900    
 C   -4.633500      -2.165700      -1.679000    
 C   -2.658600       3.514800      0.5586000    
 C   -2.506000      -3.294600      -1.491200    
 C    1.968600       2.437100      -2.139500    
 C    5.054800      -1.642000      -1.201300    
 C    2.018900       3.750100     -0.1123000    
 C    3.151300      -3.118800      -1.021400    
 C   -2.434000       3.729100     -0.8012000    
 C   -3.784800      -3.211500      -2.041800    
 C    1.922100       3.676700      -1.501800    
 C    4.441900      -2.862600      -1.484400    
 H   -2.098700      -1.630400       3.092100    
 H    2.159000      -1.311800       3.139000    
 H   6.4800002E-02  -2.087600       4.183300    
 H   -2.028600      0.5269000      -1.822900    
 H   -4.882000     -0.3978000     -0.4964000    
 H   -2.822800       2.076700       2.131800    
 H   -1.070600      -2.442900     -0.1875000    
 H    2.098700      0.3265000      -1.917700    
 H    4.867900      0.2660000     -0.2433000    
 H    2.217200       2.656600       1.720000    
 H    1.468700      -2.391300      4.7800001E-02
 H   -4.031700     -0.9855000       1.796100    
 H    3.888200     -0.2959000       2.058400    
 H   -2.035300       2.812400      -2.709100    
 H   -5.629300      -2.101200      -2.107600    
 H   -2.819200       4.359800       1.221800    
 H   -1.844800      -4.108200      -1.775300    
 H    1.881300       2.379600      -3.220600    
 H    6.059500      -1.442400      -1.562200    
 H    1.976600       4.715000      0.3845000    
 H    2.672900      -4.067800      -1.245800    
 H   -2.421800       4.740300      -1.197100    
 H   -4.119600      -3.960600      -2.753200    
 H    1.805600       4.584400      -2.086800    
 H    4.969000      -3.612900      -2.066400    


%chk=000094051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094051

0 1
O -3.399577 -1.006387 1.733651
O 3.701350 0.111394 1.577954
N 0.111379 -0.215430 0.893532
C -2.375071 -0.375565 0.851848
C 2.552887 -0.015913 0.638186
C -1.032937 -0.330393 1.623392
C 1.305171 -0.108733 1.543681
C -2.839812 1.077678 0.620037
C -2.314628 -1.201084 -0.449499
C 2.441809 1.251923 -0.238813
C 2.766758 -1.319725 -0.165022
C -1.025682 -0.329597 3.040214
C 1.403094 -0.093889 2.952557
C 0.211416 -0.203930 3.705652
C -2.004630 1.971765 -0.096661
C -3.178137 -0.895288 -1.531333
C -4.090022 1.530380 1.102239
C -1.503071 -2.362892 -0.534319
C 1.594682 1.281790 -1.377147
C 3.410998 -1.308306 -1.428211
C 3.144265 2.425268 0.126076
C 2.447750 -2.571432 0.422681
C -2.417276 3.300684 -0.328210
C -3.226285 -1.725477 -2.672444
C -4.501044 2.863997 0.869782
C -1.548899 -3.193168 -1.675183
C 1.472324 2.460573 -2.144354
C 3.713485 -2.517394 -2.094833
C 3.021530 3.605348 -0.643239
C 2.746547 -3.779014 -0.241824
C -3.668532 3.753785 0.153840
C -2.411446 -2.878233 -2.750048
C 2.188226 3.627060 -1.784073
C 3.379601 -3.757648 -1.507149
H -1.972066 -0.417414 3.578610
H 2.384258 -0.002751 3.420988
H 0.250185 -0.192334 4.800400
H -1.032176 1.627773 -0.463386
H -3.812319 -0.004374 -1.478107
H -4.726478 0.832755 1.652293
H -0.808920 -2.607193 0.276156
H 1.024520 0.387827 -1.647919
H 3.667858 -0.353731 -1.899551
H 3.773763 2.408036 1.021190
H 1.974940 -2.597668 1.410886
H -3.338067 -1.987290 1.604456
H 4.530269 -0.057376 1.061650
H -1.758178 3.981402 -0.879238
H -3.898669 -1.472458 -3.499972
H -5.471871 3.205139 1.247768
H -0.901391 -4.075593 -1.729824
H 0.816951 2.467395 -3.022991
H 4.207464 -2.488524 -3.072546
H 3.572509 4.505720 -0.348028
H 2.492636 -4.736419 0.227412
H -3.987854 4.787121 -0.024293
H -2.444144 -3.519537 -3.638138
H 2.093941 4.540396 -2.382580
H 3.611616 -4.695050 -2.025099


