%chk=000073456.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073456

0 1
 O    2.691400      4.7499999E-02   2.240800    
 O  -0.5829000       1.010800     -0.7401000    
 O    3.560600      -1.631700     -0.3541000    
 O  -2.4100000E-02  -1.605500     -0.1750000    
 O    1.440400      -2.121400      -1.875400    
 O   9.4200000E-02   3.189700     -0.3497000    
 N   -4.067900      0.3070000      0.1132000    
 C    2.206200     -4.5000002E-02  0.8866000    
 C    1.282300      0.2253000       2.067000    
 C    2.300500      -1.466400      0.3050000    
 C    2.638200       1.135900     -6.0000001E-03
 C   -2.855500      0.1011000     -0.7534000    
 C   -1.943300       1.281400     -0.4104000    
 C   -2.186900       1.465600       1.073900    
 C   -3.687800       1.262800       1.176100    
 C   -2.373700      -1.294200     -0.4371000    
 C   -4.407100      -1.028100      0.6561000    
 C    1.628800       1.508900      -1.068500    
 C    2.267800      -2.589600       1.352600    
 C    3.066900       2.392700      0.7725000    
 C    1.215100      -1.765800     -0.7249000    
 C   -3.263200      -1.922500      0.3355000    
 C   -1.146400      -1.906000      -1.021900    
 C   0.3047000       2.032800     -0.6747000    
 C    1.841800       1.414800      -2.388400    
 H   0.8797000       1.218600       2.216300    
 H   0.6248000     -0.5550000       2.426000    
 H    3.553700      0.8111000     -0.5189000    
 H   -3.142800      0.1399000      -1.811400    
 H   -2.282700       2.168900     -0.9634000    
 H   -1.875000       2.451900       1.429800    
 H   -1.643200      0.7152000       1.659000    
 H   -3.990800      0.9701000       2.186800    
 H   -4.194700       2.211200      0.9594000    
 H   -5.307800      -1.397600      0.1532000    
 H   -4.611300      -1.021900       1.731900    
 H    1.339300      -2.601600       1.931200    
 H    2.360800      -3.573700      0.8762000    
 H    3.108700      -2.505800       2.050600    
 H    3.410600       3.176400      8.7300003E-02
 H    2.254700       2.812800       1.373700    
 H    3.898100       2.167100       1.449600    
 H   -3.186600      -2.948700      0.6643000    
 H   -1.245700      -2.996200      -1.076300    
 H  -0.9881000      -1.523500      -2.037000    
 H    3.625300      -2.547300     -0.6755000    
 H    2.785200       1.044400      -2.776000    
 H    1.086700       1.700500      -3.114000    


%chk=000073456-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000073456

0 1
O 3.026997 0.085506 2.334385
O -0.773021 1.153800 -0.951049
O 3.663521 -1.636523 -0.304554
O -0.000967 -1.472648 -0.130555
O 1.495453 -2.234959 -1.744197
O 0.199384 2.781668 0.415174
N -4.205658 0.271981 0.078334
C 2.373594 -0.023288 0.976797
C 1.542874 0.298369 2.182337
C 2.393489 -1.475066 0.414910
C 2.765216 1.084463 -0.035200
C -3.006174 0.180333 -0.831482
C -2.143919 1.416598 -0.448603
C -2.352394 1.541402 1.073499
C -3.874353 1.250881 1.176377
C -2.410586 -1.215260 -0.545288
C -4.538658 -1.119024 0.518098
C 1.604997 1.343871 -1.004429
C 2.312392 -2.559259 1.516677
C 3.293134 2.373218 0.643184
C 1.258692 -1.741404 -0.609478
C -3.301866 -1.938637 0.184566
C -1.130233 -1.746130 -1.114870
C 0.314722 1.863365 -0.431145
C 1.709778 1.145585 -2.345110
H 1.212223 1.331569 2.336459
H 0.917693 -0.476990 2.639465
H 3.590765 0.656302 -0.633031
H -3.297156 0.242017 -1.899879
H -2.516785 2.322295 -0.963821
H -2.069632 2.528420 1.464054
H -1.764038 0.765706 1.596565
H -4.151599 0.839517 2.164431
H -4.452944 2.183318 1.030199
H -5.423610 -1.509696 -0.027553
H -4.795892 -1.141348 1.595218
H 1.344829 -2.546789 2.046679
H 2.447575 -3.552091 1.054352
H 3.126363 -2.382362 2.236822
H 3.647300 3.075016 -0.132855
H 2.515643 2.888321 1.229286
H 4.133123 2.120081 1.310282
H -3.185163 -2.990933 0.463449
H -1.156957 -2.840311 -1.257656
H -0.851869 -1.260915 -2.064770
H 3.451652 -2.093425 -1.167380
H 2.647468 0.794867 -2.790309
H 0.873596 1.335495 -3.025883


