%chk=000127894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127894

0 1
 O    4.694300       2.584600      0.3119000    
 O    5.863000      0.9520000     -0.7672000    
 N    3.738700     -0.5908000      -1.042500    
 N   -4.880400      0.1227000      -1.285600    
 N   -5.181300      0.8382000      0.8416000    
 N   -5.948000      0.9167000      -1.122400    
 N   -6.165200       1.364000      0.1222000    
 C    1.763700     -0.4767000       1.150000    
 C    1.984400      -1.741000      0.2938000    
 C   0.5051000      0.3017000      0.7267000    
 C  -0.7418000     -0.5924000      0.7216000    
 C   0.7147000      -2.601600      0.2314000    
 C  -0.5301000      -1.816900     -0.1752000    
 C    3.017800      0.4113000       1.108700    
 C    2.508600      -1.386700      -1.110400    
 C    3.507700      0.6602000     -0.3193000    
 C   -1.969900      0.1978000      0.2723000    
 C   -3.239900     -0.6449000      0.3802000    
 C    4.818700       1.381600     -0.3001000    
 C   -4.460000      0.1204000     -3.7500001E-02
 H    1.614100     -0.7918000       2.192100    
 H    2.759500      -2.347600      0.7848000    
 H   0.6389000      0.7439000     -0.2676000    
 H   0.3502000       1.138900       1.419100    
 H  -0.9104000     -0.9411000       1.749900    
 H   0.5418000      -3.041200       1.222500    
 H   0.8613000      -3.441900     -0.4577000    
 H  -0.4529000      -1.511700      -1.225600    
 H   -1.374200      -2.509800     -0.1076000    
 H    3.813400     -7.6600000E-02   1.689500    
 H    2.815100       1.361300       1.618800    
 H    2.728700      -2.308600      -1.661300    
 H    1.758400     -0.8488000      -1.700800    
 H    2.803900       1.281100     -0.8863000    
 H   -1.839700      0.5493000     -0.7597000    
 H   -2.077100       1.096200      0.8940000    
 H    4.450100      -1.136200     -0.5540000    
 H   -3.374900     -0.9900000       1.412500    
 H   -3.186800      -1.537800     -0.2506000    
 H    5.544700       3.072900      0.3364000    
 H   -6.556400       1.164300      -1.895500    


%chk=000127894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127894

0 1
O 4.682411 2.793741 0.085121
O 6.020726 0.917781 -0.213285
N 3.765615 -0.536707 -1.068061
N -5.358708 -0.054979 -1.093582
N -4.910749 1.307027 0.703766
N -6.261662 0.967831 -0.957715
N -6.023978 1.813321 0.117578
C 1.769333 -0.504447 1.153437
C 2.040902 -1.795066 0.321763
C 0.504771 0.247453 0.659480
C -0.753159 -0.659465 0.646232
C 0.775218 -2.684978 0.255742
C -0.486512 -1.920687 -0.215924
C 3.029581 0.399705 1.184346
C 2.591975 -1.435525 -1.089129
C 3.563131 0.683393 -0.266298
C -1.992349 0.139229 0.173097
C -3.322521 -0.654573 0.290445
C 4.880066 1.429079 -0.156157
C -4.520818 0.181840 -0.035021
H 1.565416 -0.819798 2.200251
H 2.841455 -2.365092 0.842022
H 0.662486 0.651517 -0.361349
H 0.324579 1.122608 1.315997
H -0.939135 -0.994993 1.692263
H 0.578789 -3.100798 1.265956
H 0.961098 -3.551774 -0.410523
H -0.376829 -1.612689 -1.276365
H -1.353688 -2.607870 -0.177741
H 3.831256 -0.109366 1.757029
H 2.804820 1.357177 1.692844
H 2.878663 -2.359677 -1.624836
H 1.800483 -0.952368 -1.694952
H 2.838072 1.341747 -0.780584
H -1.848124 0.454472 -0.880526
H -2.084685 1.064770 0.774051
H 4.650710 -1.002652 -0.826437
H -3.419212 -1.035221 1.325873
H -3.321177 -1.525848 -0.386427
H 5.565657 3.237658 0.205973
H -7.046105 1.099223 -1.595254


