%chk=000115349.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115349

0 1
 O   -3.663700      -1.003800      0.5762000    
 O    5.352700      -2.151300     -0.5237000    
 N    5.600600     -0.8286000      2.4100000E-02
 C    2.106700      0.5383000     -0.5722000    
 C    3.453400     -1.1600000E-02 -0.9007000    
 C  -0.2491000      0.1766000     -8.5100003E-02
 C  -0.4297000       1.574100      4.5800000E-02
 C    1.025500     -0.3253000     -0.3945000    
 C    4.276300     -0.3160000      0.3592000    
 C    1.929200       1.912600     -0.4435000    
 C   0.6698000       2.428600     -0.1365000    
 C   -1.348600     -0.6780000      9.7199999E-02
 C   -2.608000     -0.1620000      0.4042000    
 C   -1.704300       2.076000      0.3551000    
 C   -2.785500       1.212300      0.5328000    
 C   -4.955600     -0.5029000      0.2364000    
 C   -5.833000      -1.664400     -0.2046000    
 C    6.388300      -1.071300       1.227700    
 C   -7.225000      -1.203300     -0.5977000    
 H    3.332700     -0.9148000      -1.512900    
 H    3.996300      0.7006000      -1.536900    
 H    1.174600      -1.399200     -0.4951000    
 H    3.729800      -1.019400       1.002900    
 H    4.386700      0.6132000      0.9340000    
 H    2.764000       2.595400     -0.5778000    
 H   0.5542000       3.506200     -4.0300000E-02
 H   -1.227100      -1.755300     -3.9999999E-04
 H   -1.864300       3.146500      0.4663000    
 H   -3.742100       1.652800      0.7978000    
 H   -4.904000      0.2141000     -0.5935000    
 H   -5.391400     -1.3500000E-02   1.115100    
 H   -5.361300      -2.182900      -1.048000    
 H   -5.899300      -2.402700      0.6035000    
 H    7.360300      -1.499600      0.9598000    
 H    5.892200      -1.758400       1.923000    
 H    6.587200     -0.1307000       1.752800    
 H   -7.183800     -0.4970000      -1.433000    
 H   -7.834500      -2.058300     -0.9064000    
 H   -7.727700     -0.7136000      0.2423000    
 H    5.761000      -2.041900      -1.399300    


%chk=000115349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115349

0 1
O -3.727436 -1.001382 -0.288908
O 5.658931 -2.114310 -0.514845
N 5.741782 -0.782670 0.217930
C 2.217402 0.541070 -0.617594
C 3.613212 -0.009585 -0.864748
C -0.229360 0.219904 -0.407260
C -0.384877 1.622464 -0.069658
C 1.088855 -0.283663 -0.675881
C 4.327144 -0.373812 0.457233
C 2.046398 1.929507 -0.279324
C 0.781943 2.454154 -0.015022
C -1.386418 -0.614606 -0.466555
C -2.659386 -0.092418 -0.203270
C -1.699108 2.123181 0.192011
C -2.821434 1.293927 0.130178
C -5.091686 -0.507134 -0.027344
C -6.037636 -1.699297 -0.192319
C 6.444563 -1.094786 1.489705
C -7.508054 -1.299042 0.058382
H 3.567316 -0.918668 -1.490285
H 4.237444 0.734427 -1.395850
H 1.204797 -1.343741 -0.935989
H 3.758822 -1.172469 0.986176
H 4.368193 0.512239 1.120327
H 2.930246 2.578592 -0.242718
H 0.664084 3.515991 0.234192
H -1.293063 -1.675794 -0.720080
H -1.821619 3.182924 0.446514
H -3.813209 1.706723 0.335745
H -5.344249 0.299461 -0.747803
H -5.152105 -0.095214 1.002264
H -5.919678 -2.108447 -1.212906
H -5.731372 -2.496369 0.510385
H 7.463708 -1.444339 1.261164
H 5.923204 -1.871808 2.090240
H 6.511845 -0.163611 2.081156
H -7.840689 -0.518720 -0.651910
H -8.176284 -2.169628 -0.063454
H -7.650785 -0.907195 1.083133
H 6.142055 -1.914358 -1.358912


