%chk=000052759.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052759

0 1
 O   0.9480000      0.6231000       1.579200    
 N    2.838900      0.1917000     -0.4666000    
 N    4.938900      0.3844000      0.1627000    
 C  -0.8987000      0.1595000      0.2005000    
 C   -1.812700       1.197100      1.6500000E-02
 C   -1.332800      -1.165700      0.1708000    
 C   -3.160700      0.9093000     -0.1974000    
 C   -2.680700      -1.453400     -4.3099999E-02
 C   -3.594700     -0.4159000     -0.2273000    
 C   0.5122000      0.4608000      0.4243000    
 C    1.460100      0.5750000     -0.7744000    
 C   -1.353600       2.621400      4.5499999E-02
 C  -0.3575000      -2.283400      0.3693000    
 C   -4.159300       2.002100     -0.3965000    
 C   -3.171700      -2.863900     -7.7900000E-02
 C    3.353700      -1.055400     -0.5797000    
 C    3.807600       1.027900     -2.2100000E-02
 C    4.663000     -0.9146000     -0.1836000    
 H   -4.646200     -0.6402000     -0.3911000    
 H    1.472800       1.612300      -1.124500    
 H    1.119600     -7.1699999E-02  -1.590000    
 H  -0.4088000       2.760500      0.5785000    
 H   -1.224300       2.992400     -0.9766000    
 H   -2.069500       3.264300      0.5681000    
 H   0.5186000      -1.985200      0.9525000    
 H  -0.7962000      -3.114400      0.9307000    
 H  -1.4100000E-02  -2.655800     -0.6013000    
 H   -3.833300       2.694500      -1.179600    
 H   -5.131400       1.607300     -0.7125000    
 H   -4.317600       2.551700      0.5370000    
 H   -2.580300      -3.468900     -0.7730000    
 H   -3.133000      -3.308400      0.9218000    
 H   -4.211000      -2.920200     -0.4208000    
 H    2.780600      -1.908400     -0.9156000    
 H    3.647500       2.083100      0.1523000    
 H    5.420500      -1.682800     -0.1293000    


%chk=000052759-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052759

0 1
O 1.053717 0.546346 1.592343
N 2.877737 0.132871 -0.543699
N 4.961020 1.012358 -0.343689
C -0.918964 0.030989 0.238816
C -1.752705 1.182059 0.130860
C -1.431068 -1.291842 0.100685
C -3.137506 0.994943 -0.151627
C -2.817102 -1.464612 -0.176323
C -3.636172 -0.318925 -0.303853
C 0.562735 0.223262 0.484417
C 1.442408 0.054536 -0.781697
C -1.204420 2.591279 0.293322
C -0.539217 -2.513032 0.278119
C -4.072630 2.183128 -0.284224
C -3.419411 -2.851021 -0.321094
C 3.695305 -0.884457 -0.029412
C 3.688081 1.258489 -0.704077
C 4.970730 -0.328212 0.080574
H -4.703154 -0.455977 -0.519555
H 1.143441 0.855283 -1.486662
H 1.178956 -0.898432 -1.276548
H -0.133353 2.607249 0.548164
H -1.351731 3.188007 -0.627831
H -1.733225 3.127360 1.103885
H 0.442523 -2.260347 0.712877
H -1.008480 -3.245746 0.959761
H -0.368684 -3.040656 -0.681496
H -3.753362 2.869712 -1.091797
H -5.101738 1.855606 -0.508546
H -4.105290 2.782796 0.645775
H -2.899801 -3.448057 -1.094458
H -3.352113 -3.425922 0.623081
H -4.484942 -2.792640 -0.600125
H 3.309656 -1.872636 0.208340
H 3.307941 2.205256 -1.082242
H 5.884715 -0.798915 0.434738


