%chk=000039894.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039894

0 1
 O    6.727300       1.696000       1.487300    
 O  -9.5899999E-02 -0.9309000       1.402700    
 O   -2.970800      -3.166600       1.253400    
 N    4.520900      0.8337000       1.406100    
 N    5.694200       1.008200     -0.5322000    
 N   0.5729000      -1.015400     -0.8512000    
 N   -2.646300     -0.7689000      0.1435000    
 N   -2.849300      2.8700000E-02 -0.7949000    
 C    3.718100      0.3735000      0.3624000    
 C    4.436500      0.4803000     -0.8246000    
 C    1.873500     -0.5093000     -0.8215000    
 C    2.432800     -0.1177000      0.3990000    
 C    3.907600      0.1017000      -2.037700    
 C    2.602700     -0.4008000      -2.026100    
 C    5.775300       1.241000      0.8698000    
 C   -1.643600      -1.775800     -0.2134000    
 C  -0.3101000      -1.196700      0.2226000    
 C   -2.003800      -3.067200      0.4986000    
 C   -1.113800      -4.254100      0.2261000    
 C   -3.815800      0.9730000     -0.4099000    
 C   -3.418300       2.157500      0.2031000    
 C   -5.163600      0.7171000     -0.6435000    
 C   -4.377700       3.094800      0.5862000    
 C   -6.122900       1.654500     -0.2604000    
 C   -5.729800       2.843300      0.3545000    
 H    1.943200     -0.1703000       1.358600    
 H    4.467600      0.1852000      -2.961300    
 H    2.152000     -0.7100000      -2.966900    
 H    4.244800      0.8666000       2.379700    
 H    6.420100       1.190100      -1.214300    
 H   0.2377000      -1.280700      -1.774600    
 H   -1.667900      -1.989100      -1.289600    
 H   -1.067900      -4.439400     -0.8500000    
 H  -0.1125000      -4.065300      0.6202000    
 H   -1.524500      -5.141400      0.7161000    
 H   -2.366800       2.361600      0.3869000    
 H   -5.478500     -0.2062000      -1.122400    
 H   -4.071700       4.020500       1.064900    
 H   -7.175800       1.459000     -0.4409000    
 H   -6.476800       3.573200      0.6528000    


%chk=000039894-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039894

0 1
O 7.280205 0.413347 -1.442804
O 0.699416 -3.017448 -0.176860
O -1.954535 -1.456068 2.603618
N 5.150347 -0.624779 -1.028251
N 5.242575 1.606787 -0.990257
N 0.225228 -0.704458 -0.001950
N -2.671880 -1.462020 -0.162151
N -2.416591 -0.189968 -0.044330
C 3.847996 -0.175378 -0.747008
C 3.907451 1.252963 -0.722710
C 1.490678 -0.107376 -0.257005
C 2.657551 -0.879821 -0.519501
C 2.753478 2.010662 -0.464895
C 1.545677 1.315978 -0.233492
C 6.050404 0.458567 -1.186839
C -1.597394 -2.343380 0.326800
C -0.093702 -2.039674 0.003905
C -1.653549 -2.446204 1.903357
C -1.284101 -3.809484 2.448558
C -3.478190 0.695674 -0.435969
C -4.729272 0.260005 -0.952865
C -3.210803 2.078696 -0.276196
C -5.697818 1.216335 -1.308899
C -4.189172 3.030499 -0.632312
C -5.433219 2.601337 -1.150532
H 2.598962 -1.969704 -0.537244
H 2.777529 3.104388 -0.441551
H 0.630931 1.882747 -0.026702
H 5.455026 -1.591297 -1.117294
H 5.629337 2.545823 -1.045365
H -0.610432 -0.084227 0.126149
H -1.791826 -3.345289 -0.086227
H -2.112617 -4.518469 2.255901
H -0.394496 -4.199740 1.920860
H -1.101231 -3.755283 3.532459
H -4.912403 -0.812765 -1.064425
H -2.243640 2.385568 0.136469
H -6.663458 0.889942 -1.710287
H -3.985011 4.098817 -0.506035
H -6.194354 3.338398 -1.429019


