%chk=000127503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127503

0 1
 O    3.172500      0.1946000       2.260300    
 O    2.504600      0.8251000      -2.445800    
 O   -2.456300     -0.1975000      -1.425100    
 O   -1.681900       2.899200      0.1871000    
 O   -3.724700       3.875700      4.0600002E-02
 N   -1.172500      -2.448500     -0.5900000    
 N   -2.593700      0.5234000      0.7772000    
 N  -0.9970000      -4.751200     -0.7022000    
 N  -0.4501000      -3.770300       1.281100    
 C   0.3504000     -0.6114000      0.1102000    
 C   -1.023400      -1.231900      0.2223000    
 C    2.868600      0.5228000     -9.5399998E-02
 C    1.134500     -0.4930000       1.245500    
 C   0.7979000     -0.1752000      -1.125700    
 C    2.402700      7.8299999E-02   1.142100    
 C    2.066200      0.3959000      -1.229200    
 C    4.227800       1.135500     -0.2062000    
 C   -2.097600     -0.2646000     -0.2507000    
 C    4.198200       2.646400      9.9999997E-05
 C   -3.608800       1.530900      0.5724000    
 C  -0.8834000      -3.568300     -1.0500000E-02
 C   -3.034000       2.884200      0.2419000    
 H   -1.262500      -1.435000       1.273700    
 H   0.7769000     -0.8344000       2.212900    
 H   0.1799000     -0.2804000      -2.012900    
 H    4.938600      0.6695000      0.4863000    
 H    4.653800      0.9246000      -1.195600    
 H    3.559300       3.136100     -0.7427000    
 H    5.207100       3.059700     -9.7000003E-02
 H    3.818700       2.908500      0.9932000    
 H   -2.211600      0.4263000       1.713300    
 H   -4.177500       1.610700       1.503000    
 H   -4.264700       1.221400     -0.2466000    
 H    3.852000      0.8763000       2.142900    
 H    1.814700      0.6571000      -3.110300    
 H   -1.305500      -4.765100      -1.668200    
 H  -0.7755000      -5.641800     -0.2707000    
 H  -0.2611000      -4.708000       1.619400    
 H  -0.2744000      -3.018300       1.935700    
 H   -1.332600       3.789600     -3.0700000E-02


%chk=000127503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127503

0 1
O 4.189658 0.439051 1.802661
O 2.327907 -0.079960 -2.664359
O -1.124185 2.088049 1.753006
O -4.981600 0.231424 -0.601987
O -5.805330 2.403158 -0.572566
N -1.469669 -1.426989 0.763559
N -2.618034 0.869313 0.434800
N -1.956218 -3.715409 0.657369
N 0.086838 -3.070424 1.620424
C 0.708430 -0.147973 0.713285
C -0.680764 -0.317398 1.347580
C 3.297230 0.171103 -0.481610
C 1.841178 0.063600 1.525955
C 0.855187 -0.208247 -0.693654
C 3.111116 0.224765 0.924581
C 2.133500 -0.040680 -1.266147
C 4.660424 0.373077 -1.123241
C -1.489815 1.004440 1.202725
C 5.037085 1.874244 -1.271845
C -3.515352 1.991747 0.214407
C -1.098670 -2.668602 1.006729
C -4.872118 1.606420 -0.342030
H -0.533200 -0.447675 2.443075
H 1.755142 0.151953 2.613237
H -0.027397 -0.391908 -1.319059
H 5.447712 -0.157248 -0.543819
H 4.653932 -0.093459 -2.122194
H 4.305979 2.384696 -1.922000
H 6.038456 1.986780 -1.726400
H 5.038317 2.400260 -0.298793
H -2.827393 -0.092825 0.123580
H -3.077482 2.736207 -0.483086
H -3.671639 2.549723 1.158943
H 5.031781 0.561383 1.297521
H 1.465098 -0.224243 -3.125436
H -2.870545 -3.443306 0.303058
H -1.581242 -4.622359 0.387652
H 0.176592 -3.992749 2.038799
H 0.862722 -2.414059 1.697242
H -5.888032 0.041022 -0.966263


