%chk=000035457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035457

0 1
 O    5.322000       1.966200      -1.419700    
 O    4.818800       2.805200      0.6320000    
 N    1.160500      -2.487300      0.1802000    
 N   -1.195900     -0.4489000      0.8691000    
 N   -3.152100      -1.772500     -0.6003000    
 N   -3.488700       2.296600      0.1632000    
 N   -1.448000       2.248400       1.358200    
 N   -5.540600       2.332400      -1.039300    
 C   7.2200000E-02  -2.499100       1.135200    
 C   -1.110800      -1.765700      0.6080000    
 C    2.026200      -1.392200      7.8400001E-02
 C    1.348600      -3.657900     -0.6749000    
 C   -2.268100      0.2092000      0.3909000    
 C   -3.256200     -0.4552000     -0.3504000    
 C    2.131900     -0.4727000       1.129200    
 C    2.795500      -1.202900      -1.076100    
 C   -2.074700      -2.417700     -0.1160000    
 C   -2.442700       1.566400      0.6089000    
 C    2.993700      0.6195000       1.026900    
 C    3.657300     -0.1108000      -1.178300    
 C    3.756300      0.8004000     -0.1268000    
 C   -4.342100      0.2719000     -0.8203000    
 C   -4.416800       1.626900     -0.5440000    
 C    4.653900       1.939700     -0.2340000    
 H   0.3500000      -2.126000       2.126000    
 H  -0.2278000      -3.534600       1.348900    
 H   0.7409000      -4.505300     -0.3389000    
 H    2.391700      -3.993100     -0.6620000    
 H    1.048700      -3.437000      -1.704800    
 H    1.578500     -0.5625000       2.056800    
 H    2.740700      -1.881600      -1.922400    
 H   -2.025100      -3.476800     -0.3389000    
 H    3.058600       1.317300       1.857800    
 H    4.230700     -6.2000002E-03  -2.095100    
 H   -5.120000     -0.2234000      -1.396100    
 H   -1.581400       3.241600       1.502600    
 H  -0.5026000       1.885800       1.339500    
 H   -5.585900       3.323700     -0.8382000    
 H   -5.990500       1.993200      -1.880600    
 H    5.924800       2.737600      -1.481800    


%chk=000035457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035457

0 1
O 6.012585 1.464525 -1.600423
O 4.827583 2.976215 -0.293557
N 1.269765 -2.488165 0.262781
N -1.502658 -0.421142 1.160393
N -2.714413 -1.348209 -1.274100
N -4.105086 2.150341 0.704681
N -2.488297 1.872812 2.388020
N -5.725217 2.497844 -0.920385
C 0.110881 -2.293494 1.157675
C -1.053575 -1.533996 0.529622
C 2.152762 -1.437854 -0.005314
C 1.490817 -3.808679 -0.346754
C -2.556230 0.245338 0.589235
C -3.186154 -0.193995 -0.637275
C 1.952376 -0.130603 0.552905
C 3.297788 -1.640612 -0.844013
C -1.678308 -1.976243 -0.687722
C -3.075310 1.449862 1.223708
C 2.864162 0.900568 0.296053
C 4.200478 -0.597512 -1.095004
C 4.004087 0.689065 -0.526880
C -4.264381 0.547760 -1.173099
C -4.684559 1.706398 -0.473688
C 4.929023 1.810871 -0.760709
H 0.411214 -1.750258 2.073068
H -0.231582 -3.294714 1.478056
H 0.699886 -4.500291 -0.016362
H 2.467324 -4.239098 -0.047441
H 1.463021 -3.761521 -1.453904
H 1.073996 0.081147 1.167911
H 3.483512 -2.617142 -1.298556
H -1.307132 -2.876091 -1.193711
H 2.708063 1.896869 0.723590
H 5.071496 -0.767615 -1.734499
H -4.739710 0.219138 -2.100162
H -2.823403 2.717248 2.844399
H -1.708892 1.330788 2.759000
H -5.970784 3.319314 -0.372838
H -6.228200 2.282816 -1.775845
H 6.584574 2.270913 -1.705954


