%chk=000086478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086478

0 1
 O   0.2988000     -0.6673000       1.971900    
 N   0.6329000      2.1299999E-02  0.8164000    
 N   -2.935800      0.6640000     -0.2104000    
 N   -5.172100      0.6743000     -0.8163000    
 N   -4.280200      -1.326700     -0.1872000    
 C   0.9736000     -0.9931000     -0.2591000    
 C    1.774800      0.9608000       1.155600    
 C    2.267200      -1.772600     -3.2200001E-02
 C    2.330300       1.855200      5.3900000E-02
 C  -0.5842000      0.7990000      0.3930000    
 C    3.421300      -1.351900     -0.9449000    
 C    3.089900       1.195100      -1.098200    
 C    4.012700      4.0199999E-02 -0.7097000    
 C   -1.784200     -0.1142000      0.2515000    
 C   -4.045000      1.5900001E-02 -0.3842000    
 H   0.9245000     -0.4973000      -1.231000    
 H   0.1710000      -1.736400     -0.2173000    
 H    2.555100      0.3535000       1.623700    
 H    1.374900       1.597800       1.956200    
 H    2.062300      -2.827100     -0.2616000    
 H    2.585800      -1.754800       1.015000    
 H    3.027600       2.550900      0.5408000    
 H    1.539400       2.487200     -0.3648000    
 H  -0.3477000       1.296500     -0.5531000    
 H  -0.7624000       1.559500       1.162200    
 H    4.230900      -2.080900     -0.8090000    
 H    3.108900      -1.443600      -1.992900    
 H    2.397200      0.8916000      -1.889800    
 H    3.706400       1.980300      -1.557000    
 H    4.376900      0.1415000      0.3183000    
 H    4.905400      0.1090000      -1.345900    
 H   -2.021000     -0.5885000       1.210900    
 H   -1.601800     -0.8981000     -0.4879000    
 H   -5.156400       1.670500      -1.005800    
 H   -6.049400      0.1861000     -0.9595000    
 H   -5.196900      -1.726400     -0.3568000    
 H   -3.558200      -1.962500      0.1322000    


%chk=000086478-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086478

0 1
O 0.211312 -1.008883 1.661450
N 0.575422 -0.192481 0.529678
N -3.018965 0.497273 -0.527273
N -5.313739 1.000736 -0.502008
N -4.650404 -1.087865 0.340768
C 1.140125 -1.114838 -0.573128
C 1.601489 0.823941 1.053408
C 2.450335 -1.816468 -0.162226
C 2.227499 1.838465 0.077969
C -0.660256 0.551716 -0.002254
C 3.753102 -1.267674 -0.800260
C 3.239284 1.304297 -0.976111
C 4.194160 0.184467 -0.472333
C -1.895777 -0.357384 -0.091703
C -4.245510 0.127064 -0.238286
H 1.250493 -0.539210 -1.510943
H 0.337439 -1.856494 -0.704880
H 2.364910 0.206171 1.549433
H 1.049595 1.341203 1.856393
H 2.367235 -2.880241 -0.458169
H 2.485859 -1.832383 0.944573
H 2.769369 2.551741 0.732954
H 1.440483 2.435569 -0.423143
H -0.432019 0.998595 -0.987179
H -0.876571 1.357356 0.718067
H 4.578895 -1.947644 -0.506613
H 3.665526 -1.355125 -1.904292
H 2.710116 0.946339 -1.880610
H 3.839906 2.171352 -1.314645
H 4.361853 0.292191 0.618423
H 5.186935 0.331319 -0.942432
H -2.011545 -0.828092 0.908900
H -1.720591 -1.172746 -0.827480
H -5.037684 1.903791 -0.884134
H -6.208515 0.615472 -0.801088
H -5.514589 -1.124314 0.878516
H -3.942675 -1.788415 0.547655


