%chk=000064062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064062

0 1
 O    5.304600     -0.4940000      -1.063400    
 O  -0.5960000      -2.115100      0.5908000    
 N   -6.820000      0.5721000     -1.1200000E-02
 N  -0.6583000      0.1873000      0.9516000    
 N    1.256100       1.535200      0.5373000    
 C   -4.486000      0.3470000      0.7036000    
 C   -5.436700      0.5694000     -0.4722000    
 C   -3.025500      0.3498000      0.2406000    
 C   -2.044200      0.1623000       1.393100    
 C   -7.677600       1.286600     -0.9583000    
 C   -7.302800     -0.7969000      0.1778000    
 C  -5.1899999E-02  -1.015200      0.5783000    
 C    1.358700     -0.8886000      0.1444000    
 C   -7.692900      0.5982000      -2.312500    
 C   -8.721600     -0.8087000      0.7211000    
 C   2.7700000E-02   1.387500      0.9096000    
 C    1.952700      0.3807000      0.1423000    
 C    2.080300      -2.018500     -0.2549000    
 C    3.285300      0.5005000     -0.2673000    
 C    4.009000     -0.6245000     -0.6666000    
 C    3.407100      -1.881400     -0.6602000    
 C    7.526300      0.1554000     -0.4327000    
 C    6.060500      0.5634000     -0.4751000    
 C    8.394400       1.238200      0.2020000    
 C    9.850600      0.8091000      0.2817000    
 H   -4.683900     -0.6084000       1.201100    
 H   -4.631400       1.136300       1.452200    
 H   -5.252400     -0.1900000      -1.242900    
 H   -5.178400       1.541500     -0.9133000    
 H   -2.875400     -0.4453000     -0.5006000    
 H   -2.806500       1.295200     -0.2718000    
 H   -2.189900      0.9623000       2.129100    
 H   -2.245000     -0.7890000       1.899600    
 H   -8.696400       1.413600     -0.5770000    
 H   -7.305500       2.312200      -1.081200    
 H   -7.227900      -1.425800     -0.7165000    
 H   -6.688800      -1.294200      0.9373000    
 H   -8.273100       1.215400      -3.009300    
 H   -8.186400     -0.3774000      -2.297300    
 H   -6.701500      0.4900000      -2.761000    
 H   -8.970500      -1.816300       1.073200    
 H   -9.465500     -0.5500000     -3.8300000E-02
 H   -8.834700     -0.1303000       1.573900    
 H  -0.5646000       2.260400       1.225500    
 H    1.628800      -3.006500     -0.2568000    
 H    3.722000       1.495900     -0.2900000    
 H    3.967600      -2.759200     -0.9703000    
 H    7.624100     -0.7845000      0.1252000    
 H    7.873800     -6.3100003E-02  -1.450200    
 H    5.939100       1.469200      -1.080300    
 H    5.737100      0.7645000      0.5546000    
 H    8.032600       1.462600       1.212300    
 H    8.321700       2.163200     -0.3816000    
 H    10.25450      0.6054000     -0.7152000    
 H    10.45440       1.599800      0.7377000    
 H    9.960700     -9.5200002E-02  0.8887000    


%chk=000064062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064062

0 1
O 5.425355 -0.819996 -0.189429
O -0.828853 -2.212990 0.884502
N -6.855428 0.504805 -0.313322
N -0.742123 0.075531 1.409793
N 1.283528 1.386368 1.255776
C -4.553505 0.274661 0.697676
C -5.394034 0.536630 -0.573201
C -3.037593 0.303789 0.403020
C -2.203054 0.072883 1.681346
C -7.635810 1.419729 -1.186115
C -7.391744 -0.877362 -0.218181
C -0.133914 -1.155230 0.984116
C 1.302063 -1.037520 0.698942
C -7.691945 1.060282 -2.697819
C -8.818170 -0.940645 0.359656
C -0.005510 1.252678 1.514141
C 1.967404 0.225156 0.834195
C 2.044559 -2.175744 0.276681
C 3.353058 0.334091 0.543777
C 4.066150 -0.807158 0.124889
C 3.407734 -2.069034 -0.006679
C 7.617668 0.160344 -0.499988
C 6.173490 0.452463 -0.090509
C 8.502106 1.428113 -0.442407
C 9.961684 1.143176 -0.856877
H -4.820401 -0.708891 1.131966
H -4.821640 1.039281 1.452906
H -5.088428 -0.192469 -1.366263
H -5.138101 1.543369 -0.958511
H -2.780971 -0.482619 -0.331834
H -2.759130 1.278186 -0.047719
H -2.413419 0.855752 2.433600
H -2.450475 -0.911397 2.114594
H -8.665842 1.481386 -0.789135
H -7.200905 2.431361 -1.070193
H -7.365983 -1.405531 -1.205771
H -6.719690 -1.445759 0.450961
H -8.268170 1.826339 -3.249656
H -8.182170 0.084377 -2.868273
H -6.679299 1.014999 -3.139042
H -9.112002 -1.992467 0.531228
H -9.565464 -0.494844 -0.321364
H -8.862662 -0.401586 1.322616
H -0.569307 2.131636 1.847145
H 1.517445 -3.130219 0.180486
H 3.816889 1.316156 0.660628
H 3.997301 -2.930840 -0.332305
H 8.031657 -0.619181 0.167841
H 7.623885 -0.257067 -1.524991
H 5.709768 1.202710 -0.764078
H 6.119880 0.829318 0.951948
H 8.484570 1.846354 0.584588
H 8.075605 2.207945 -1.105840
H 10.010329 0.750375 -1.889684
H 10.578521 2.059018 -0.813325
H 10.423491 0.391385 -0.189911


