%chk=000133970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133970

0 1
 O  -0.4569000     -0.8121000       1.424100    
 N    1.754200     -0.8217000     -0.4099000    
 C  -0.6096000     -0.1598000      0.1554000    
 C  -0.2478000       1.313100      0.3370000    
 C   -2.070000     -0.3084000     -0.2670000    
 C   0.3502000     -0.8746000     -0.8161000    
 C    1.219500       1.462400      0.7615000    
 C  -0.5276000       2.102400     -0.9489000    
 C   -2.433500      -1.788300     -0.4495000    
 C   -3.000300      0.3609000      0.7537000    
 C    1.620300       2.929400      0.8979000    
 C  -0.1236000       3.568500     -0.8098000    
 C   -3.904100      -1.965900     -0.8204000    
 C   -4.469900      0.1796000      0.3808000    
 C    1.332700       3.712600     -0.3792000    
 C   -4.825200      -1.291900      0.1917000    
 C    1.942400      -1.502700      0.8788000    
 C    2.612800      -1.406100      -1.449800    
 C    3.397100      -1.414200       1.342400    
 C    4.089500      -1.314100      -1.062200    
 C    4.349800      -1.969100      0.2894000    
 H  -0.8236000       1.750500       1.161900    
 H   -2.233400      0.1541000      -1.247600    
 H   9.6000001E-02  -1.937200     -0.8985000    
 H   0.2335000     -0.4556000      -1.822400    
 H    1.933500       1.174900     -1.8000000E-03
 H    1.424100      0.9884000       1.722900    
 H   -1.590200       2.099500      -1.207400    
 H   1.5699999E-02   1.682100      -1.801900    
 H   -2.251600      -2.369200      0.4606000    
 H   -1.857500      -2.248500      -1.257400    
 H   -2.828900       1.439200      0.8166000    
 H   -2.840200     -5.2099999E-02   1.757200    
 H    2.686300       3.005000       1.143600    
 H    1.070400       3.381100       1.733000    
 H  -0.7721000       4.057200     -7.2099999E-02
 H  -0.2785000       4.086700      -1.763000    
 H   -4.143600      -3.033600     -0.8820000    
 H   -4.084000      -1.541300      -1.815900    
 H   -4.682000      0.7280000     -0.5454000    
 H   -5.105200      0.6139000       1.161100    
 H    1.567000       4.771600     -0.2223000    
 H    1.988400       3.357000      -1.183700    
 H   -5.865800      -1.380500     -0.1401000    
 H   -4.751300      -1.811600       1.155000    
 H  -0.5861000      -1.767900       1.314000    
 H    1.642500      -2.557300      0.8181000    
 H    1.461900      -1.062700       1.743600    
 H    2.475600     -0.8637000      -2.393100    
 H    2.346600      -2.455200      -1.634400    
 H    3.525000      -1.971000       2.278200    
 H    3.660200     -0.3698000       1.554300    
 H    4.393300     -0.2602000      -1.021900    
 H    4.704900      -1.795200      -1.830800    
 H    5.388200      -1.801500      0.5954000    
 H    4.209200      -3.053600      0.2039000    


%chk=000133970-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133970

0 1
O -0.569409 -0.675492 1.772062
N 1.783282 -0.979669 -0.382247
C -0.617915 -0.230801 0.347856
C -0.210468 1.277537 0.398941
C -2.104632 -0.424883 -0.191257
C 0.317304 -1.117719 -0.541871
C 1.060290 1.598734 1.232490
C -0.085066 1.905760 -1.014583
C -2.620772 -1.888684 -0.027442
C -3.134014 0.544314 0.452497
C 1.262923 3.129924 1.335056
C 0.141386 3.435564 -0.934048
C -4.043459 -2.081465 -0.606702
C -4.569589 0.339627 -0.089847
C 1.373543 3.780555 -0.064408
C -5.051849 -1.119795 0.057078
C 2.292048 -1.640701 0.849678
C 2.505592 -1.460935 -1.589885
C 3.802293 -1.394921 1.036167
C 4.020486 -1.196763 -1.476642
C 4.597426 -1.858479 -0.204740
H -1.037622 1.794383 0.926903
H -2.080258 -0.214611 -1.283041
H 0.017972 -2.189237 -0.393387
H 0.079047 -0.876810 -1.595678
H 1.937804 1.136699 0.746092
H 0.958345 1.156890 2.239561
H -0.988419 1.701403 -1.623656
H 0.776474 1.440907 -1.534973
H -2.657522 -2.148501 1.053261
H -1.938578 -2.608888 -0.515279
H -2.846132 1.594352 0.264458
H -3.117113 0.398549 1.551762
H 2.171980 3.349367 1.929531
H 0.407806 3.583252 1.880630
H -0.758291 3.916201 -0.495013
H 0.261655 3.854254 -1.952952
H -4.361636 -3.133743 -0.471590
H -4.020658 -1.890488 -1.699977
H -4.594844 0.618755 -1.164490
H -5.262277 1.028473 0.432323
H 1.482737 4.879544 0.025267
H 2.289053 3.404271 -0.566568
H -6.057217 -1.241952 -0.390916
H -5.145042 -1.372453 1.133745
H -0.830259 -1.631558 1.801608
H 2.103921 -2.749199 0.801648
H 1.725370 -1.245986 1.708442
H 2.095296 -0.935072 -2.473383
H 2.339680 -2.561343 -1.750616
H 4.148593 -1.925493 1.944159
H 3.969100 -0.312299 1.200621
H 4.187668 -0.102887 -1.432547
H 4.528847 -1.578724 -2.383172
H 5.671506 -1.616287 -0.094150
H 4.521917 -2.961978 -0.299176


