%chk=000127807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127807

0 1
 O   -6.310400       2.190600      -1.283800    
 N    2.541300       1.048200      0.4634000    
 N  -0.8752000     -0.4020000      0.6289000    
 N   -1.975400      -2.497600      0.7450000    
 N    9.742800      0.7405000      -1.335700    
 C    3.831600      0.4625000      0.8073000    
 C    1.446900      0.2132000      0.9618000    
 C    4.911300      0.9560000     -0.1541000    
 C   0.1848000      0.4483000      0.1419000    
 C    6.273300      0.3457000      0.1835000    
 C    7.365100      0.8656000     -0.7544000    
 C   -1.858700      0.1647000       1.553500    
 C    2.430800       2.404700       1.002700    
 C  -0.9679000      -1.747300      0.2455000    
 C    8.715700      0.2260000     -0.4375000    
 C   -3.042600      0.7030000      0.7988000    
 C  -7.0000002E-03  -2.224000     -0.6317000    
 C   -3.049000       2.029100      0.3662000    
 C   -4.134300     -0.1231000      0.5313000    
 C   -4.147000       2.529000     -0.3338000    
 C   -5.232300      0.3767000     -0.1686000    
 C  -8.5600004E-02  -3.556400      -1.021600    
 C   -5.238600       1.702900     -0.6012000    
 C   -2.019400      -3.787700      0.3437000    
 C   -1.108000      -4.359900     -0.5291000    
 C   -7.392400       1.291600      -1.522100    
 H    4.105900      0.6637000       1.851000    
 H    3.801300     -0.6300000      0.7011000    
 H    1.260800      0.3917000       2.030000    
 H    1.720100     -0.8456000      0.8933000    
 H    4.639600      0.6942000      -1.184800    
 H    5.001600       2.047100     -0.1135000    
 H   0.3529000      0.3427000     -0.9368000    
 H  -0.1230000       1.494400      0.2512000    
 H    6.213800     -0.7471000      0.1089000    
 H    6.538100      0.5856000       1.220500    
 H    7.438700       1.956500     -0.6606000    
 H    7.086600      0.6490000      -1.793500    
 H   -2.179200     -0.5636000       2.309900    
 H   -1.401300      0.9746000       2.138100    
 H    2.497400       2.423800       2.097000    
 H    3.213600       3.058900      0.6060000    
 H    1.486200       2.876000      0.7134000    
 H    9.003300      0.4455000      0.5963000    
 H    8.653900     -0.8627000     -0.5430000    
 H   0.8071000      -1.647500      -1.050400    
 H   -2.209000       2.686900      0.5713000    
 H   -4.162100      -1.150800      0.8791000    
 H    10.62520      0.2671000      -1.146300    
 H    9.499600      0.5165000      -2.299800    
 H   -4.146900       3.563100     -0.6671000    
 H   -6.048400     -0.3176000     -0.3374000    
 H   0.6473000      -3.968700      -1.708600    
 H   -2.835900      -4.371400      0.7558000    
 H   -1.189000      -5.401000     -0.8195000    
 H   -7.085500      0.4508000      -2.153500    
 H   -7.854300      0.9606000     -0.5857000    
 H   -8.156600       1.845600      -2.077000    


%chk=000127807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127807

0 1
O -5.985229 2.996642 -0.810161
N 2.341144 0.819257 0.051954
N -0.994689 -0.930863 0.698353
N -1.959810 -3.050239 1.086119
N 9.826260 1.141888 -1.211325
C 3.711863 0.550285 0.565056
C 1.316950 0.050111 0.798830
C 4.836246 1.035910 -0.372875
C -0.036964 -0.025561 0.044217
C 6.231790 0.578625 0.111299
C 7.377186 1.087168 -0.791641
C -1.959286 -0.329906 1.651879
C 2.031966 2.265843 0.003077
C -0.981124 -2.304329 0.466103
C 8.769846 0.625552 -0.316074
C -3.021436 0.532643 0.978318
C -0.003965 -2.926761 -0.383262
C -3.153328 1.911083 1.287206
C -3.914723 -0.031352 0.035255
C -4.145666 2.704796 0.679271
C -4.915082 0.747058 -0.586707
C -0.068764 -4.315565 -0.585335
C -5.030742 2.123007 -0.260683
C -1.987956 -4.393734 0.878948
C -1.075856 -5.083836 0.052524
C -6.934265 2.438010 -1.774899
H 3.864064 0.999785 1.582670
H 3.809151 -0.546840 0.683998
H 1.138976 0.464867 1.825732
H 1.695374 -0.980302 0.932165
H 4.639594 0.643548 -1.389907
H 4.833211 2.141073 -0.447846
H 0.153467 -0.338439 -0.998550
H -0.513679 0.969298 -0.007557
H 6.259731 -0.530604 0.156865
H 6.398230 0.937741 1.148862
H 7.373838 2.193607 -0.832120
H 7.208948 0.731559 -1.830793
H -2.429539 -1.174532 2.183509
H -1.399231 0.280341 2.388450
H 2.038905 2.742121 1.017575
H 2.768278 2.789874 -0.627806
H 1.039374 2.432010 -0.447964
H 8.954451 1.030575 0.698129
H 8.761405 -0.489511 -0.219068
H 0.782678 -2.341946 -0.866330
H -2.475706 2.369126 2.019205
H -3.825863 -1.096064 -0.209553
H 10.781039 1.006452 -0.864765
H 9.727653 0.831273 -2.183738
H -4.254701 3.768075 0.914072
H -5.591226 0.278531 -1.308456
H 0.669452 -4.800042 -1.234552
H -2.787802 -4.931664 1.402861
H -1.149133 -6.166386 -0.082411
H -6.415618 2.043791 -2.670817
H -7.547005 1.635543 -1.319522
H -7.581085 3.280010 -2.062484


