%chk=000173548.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173548

0 1
 O   -2.185000       2.552000      0.7062000    
 O  -8.4600002E-02  0.8515000       1.627400    
 O   -4.989800      0.9649000     -0.5287000    
 O   0.6202000     -0.2997000      -2.110300    
 O   -4.661200       3.226200     -0.5988000    
 N  -0.9466000     -0.6804000      9.8999999E-02
 N    2.443200     -0.9862000     -0.8461000    
 N    5.286700       2.580900       1.901900    
 C   -2.309100       1.139900      0.9188000    
 C   -2.803000       1.791800     -0.3400000    
 C   0.2230000      -1.507700     -4.5600001E-02
 C  -0.1304000      -2.951700     -0.4239000    
 C   -1.047100      -3.678100      0.5815000    
 C  -0.9962000      0.4295000      0.9257000    
 C    1.089200     -0.8752000      -1.130400    
 C   -4.231100       2.086900     -0.5010000    
 C   -1.409700      -5.091500      0.1237000    
 C  -0.3651000      -3.738700       1.951100    
 C    3.477900     -0.4272000      -1.686100    
 C    3.842100       1.002000      -1.294100    
 C    4.377500       1.096200      0.1401000    
 C    4.799000       2.514700      0.5297000    
 H   -3.024500      0.8178000       1.665500    
 H   -2.234900       1.670000      -1.254200    
 H   0.7776000      -1.481000      0.8989000    
 H   0.7960000      -3.526500     -0.5563000    
 H  -0.6248000      -2.954300      -1.405300    
 H   -1.984100      -3.117900      0.6871000    
 H   -1.758400     -0.8980000     -0.4722000    
 H   -1.916900      -5.063900     -0.8463000    
 H   -2.082200      -5.574900      0.8400000    
 H  -0.5159000      -5.716100      2.0500001E-02
 H   0.6294000      -4.192700       1.883400    
 H  -0.9588000      -4.337100       2.651100    
 H  -0.2620000      -2.744800       2.396400    
 H    2.737500      -1.483300     -1.0700000E-02
 H    4.351900      -1.081900      -1.603900    
 H    3.138900     -0.4472000      -2.727600    
 H    4.599900       1.378400      -1.991300    
 H    2.961700       1.648700      -1.393400    
 H    3.609400      0.7498000      0.8430000    
 H    5.235300      0.4201000      0.2482000    
 H    5.584500       2.867200     -0.1480000    
 H    3.946200       3.194300      0.4255000    
 H   -5.943100       1.169300     -0.6369000    
 H    6.096900       1.971500       2.007300    
 H    5.611600       3.526300       2.100400    


%chk=000173548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173548

0 1
O -3.332022 1.432409 -1.175131
O -1.700912 0.106604 1.929460
O -6.564667 -0.104184 -0.611544
O 0.728783 0.226505 -2.277142
O -6.023819 2.060301 0.070605
N -1.147782 -0.099171 -0.342621
N 2.449862 -0.350190 -0.806634
N 6.818451 1.338670 1.989064
C -3.156824 1.120568 0.286225
C -4.257325 0.449053 -0.499702
C 0.115424 -0.821114 -0.143929
C -0.032654 -2.357988 -0.369090
C -0.942313 -3.089182 0.652441
C -1.930597 0.329599 0.698354
C 1.124545 -0.253177 -1.167810
C -5.668968 0.927011 -0.311195
C -1.165469 -4.549054 0.189251
C -0.360939 -3.046125 2.085729
C 3.554110 0.080764 -1.684998
C 4.430813 1.184147 -1.051450
C 5.189000 0.728049 0.215683
C 6.110644 1.825535 0.789081
H -3.442712 1.932412 0.965542
H -4.138487 -0.590048 -0.822788
H 0.449883 -0.629725 0.893311
H 0.978085 -2.816131 -0.336711
H -0.421561 -2.512895 -1.395335
H -1.925839 -2.576537 0.667343
H -1.328149 0.254188 -1.294077
H -1.612973 -4.591472 -0.821613
H -1.839806 -5.083691 0.883200
H -0.207113 -5.103320 0.159278
H 0.660623 -3.475225 2.109203
H -0.988794 -3.639583 2.775591
H -0.331720 -2.014860 2.478615
H 2.680069 -0.707265 0.122870
H 4.183041 -0.796392 -1.940840
H 3.080812 0.442714 -2.613648
H 5.163043 1.513539 -1.816624
H 3.795193 2.060822 -0.818604
H 4.487796 0.433981 1.021643
H 5.798298 -0.169937 -0.024694
H 6.787853 2.182536 -0.026692
H 5.490702 2.692827 1.087286
H -7.498480 0.208520 -0.463919
H 7.469304 0.568424 1.805684
H 7.244690 2.071986 2.562633


