%chk=000101176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101176

0 1
 O   -1.622800       1.070300      0.3179000    
 O    1.901500       2.344300      -2.032000    
 O    3.623300       3.219400     -0.8572000    
 O  -0.5960000       2.294500       1.967700    
 N    4.051300      -1.541500     -0.8861000    
 N   0.5484000       1.597700      7.3100001E-02
 C    2.708400       1.158500       1.172700    
 C    3.024300     -7.8299999E-02  0.4296000    
 C    1.836800       2.163300      0.3859000    
 C    2.261800      -1.279700      0.4200000    
 C    2.928000      -2.181200     -0.4129000    
 C    4.118200     -0.2702000     -0.3825000    
 C    1.065100      -1.687800       1.041800    
 C    2.455300      -3.475800     -0.6559000    
 C    2.548900       2.627700     -0.8763000    
 C   0.5803000      -2.979900      0.8080000    
 C    1.266400      -3.858500     -2.8200001E-02
 C  -0.5595000       1.710400      0.8897000    
 C   -2.846700       1.107000       1.060500    
 C   -3.904400      0.3638000      0.2988000    
 C   -4.701000       1.044500     -0.6153000    
 C   -4.078100     -0.9990000      0.5133000    
 C   -5.684100      0.3537000      -1.323700    
 C   -5.061200      -1.689700     -0.1953000    
 C   -5.864200      -1.013400      -1.113700    
 H    2.204200      0.9039000       2.114000    
 H    3.646200       1.652100       1.461600    
 H    1.669100       3.055400       1.001400    
 H    4.939400      0.3810000     -0.6479000    
 H    4.728400      -1.951900      -1.514200    
 H   0.5191000      -1.020800       1.702200    
 H   0.4456000       1.074800     -0.7918000    
 H    2.988700      -4.160500      -1.306800    
 H  -0.3419000      -3.300200       1.285600    
 H   0.8719000      -4.857400     -0.1958000    
 H   -3.153300       2.148800       1.217300    
 H   -2.695300      0.6475000       2.045400    
 H    2.396100       2.662900      -2.816900    
 H   -4.567800       2.108900     -0.7884000    
 H   -3.456300      -1.536200       1.224200    
 H   -6.309000      0.8800000      -2.039300    
 H   -5.200900      -2.754400     -3.2600001E-02
 H   -6.629400      -1.551400      -1.665600    


%chk=000101176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101176

0 1
O -1.735946 0.988363 0.331875
O 1.946593 2.057248 -2.130994
O 3.625568 3.123479 -0.932370
O -0.605052 2.328953 1.916385
N 4.519379 -1.505691 -0.558509
N 0.436918 1.554943 -0.038189
C 2.627656 1.203002 1.201949
C 3.127015 -0.048092 0.525922
C 1.736972 2.134474 0.293723
C 2.407028 -1.292845 0.290572
C 3.307985 -2.188167 -0.391114
C 4.406883 -0.223170 -0.005083
C 1.094462 -1.747306 0.593795
C 2.937575 -3.497701 -0.770120
C 2.535300 2.514445 -0.946513
C 0.719441 -3.051856 0.220328
C 1.629723 -3.918039 -0.455714
C -0.619686 1.687143 0.829787
C -2.962353 1.092580 1.186544
C -4.089183 0.403268 0.455646
C -4.610542 0.950617 -0.744846
C -4.653239 -0.790128 0.968729
C -5.674204 0.313994 -1.419401
C -5.723552 -1.426819 0.299181
C -6.235782 -0.876045 -0.897224
H 2.013709 0.965228 2.090191
H 3.481374 1.814750 1.545157
H 1.556017 3.058355 0.875939
H 5.241215 0.476261 -0.021895
H 5.355599 -1.886997 -0.994721
H 0.380572 -1.094069 1.105865
H 0.323803 1.018387 -0.899478
H 3.634868 -4.166039 -1.287937
H -0.290687 -3.410581 0.446528
H 1.305526 -4.926710 -0.735231
H -3.161382 2.166047 1.359775
H -2.751805 0.620230 2.162398
H 2.530984 2.285967 -2.903057
H -4.173983 1.870402 -1.151444
H -4.253852 -1.223169 1.893988
H -6.068211 0.743855 -2.347124
H -6.153350 -2.348101 0.707833
H -7.064556 -1.367870 -1.418847


