%chk=000176102.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176102

0 1
 O   -1.000100       3.079800     -0.8857000    
 O    1.531600       1.433900       2.771200    
 O  -0.1003000     -2.0700000E-02   2.571000    
 O    5.442900     -0.2250000      -1.739400    
 O    5.315500       1.302600     -0.1680000    
 N   -4.698500     -0.8548000      6.2199999E-02
 N  -0.1054000      -1.809400      0.8424000    
 N    1.003600      0.4477000       2.206100    
 N    4.844000      0.3116000     -0.7763000    
 C   -2.709000      -1.591800     -0.5902000    
 C   -1.605900      -2.494600     -0.9759000    
 C   -2.660400     -0.1708000     -0.5340000    
 C  -0.7191000      -2.947300      0.1976000    
 C   -3.921300      0.2664000     -0.1223000    
 C   -3.974500      -1.982600     -0.2178000    
 C   -1.661900      0.7885000     -0.7947000    
 C   -4.234600       1.620300      4.2300001E-02
 C    1.112300      -1.272800      0.4579000    
 C   -1.960900       2.146200     -0.6344000    
 C   -3.228100       2.553600     -0.2222000    
 C    1.680400     -0.1610000       1.112400    
 C    1.821900      -1.841300     -0.6180000    
 C    2.908700      0.3606000      0.7062000    
 C    3.050000      -1.319700      -1.024100    
 C    3.593500     -0.2188000     -0.3621000    
 C   0.2756000       2.599400      -1.304100    
 H  -0.9885000      -2.015900      -1.746000    
 H   -2.025000      -3.391800      -1.450100    
 H   -1.359400      -3.438500      0.9420000    
 H  -2.3000001E-03  -3.716300     -0.1077000    
 H   -4.426100      -2.960600     -0.1259000    
 H   -5.663800     -0.8458000      0.3615000    
 H  -0.7003000      0.4221000      -1.128700    
 H  -0.6283000      -1.376500       1.591400    
 H   -5.220800       1.938300      0.3632000    
 H   -3.445100       3.612500     -0.1023000    
 H    1.445600      -2.689300      -1.181500    
 H    3.335800       1.219200       1.219000    
 H    3.554300      -1.794200      -1.862200    
 H   0.9110000       3.475300      -1.471300    
 H   0.2162000       2.064500      -2.257900    
 H   0.7533000       2.007800     -0.5215000    


%chk=000176102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176102

0 1
O -1.121410 3.213445 -0.872772
O 1.803617 1.429182 2.855052
O 0.086770 -0.065161 2.828277
O 5.432258 -0.276235 -1.955729
O 5.395585 1.300027 -0.299567
N -4.827318 -0.880985 -0.050235
N -0.028027 -1.895014 0.946307
N 1.204327 0.414070 2.334913
N 4.890269 0.284590 -0.920751
C -2.742635 -1.633810 -0.612874
C -1.604082 -2.569570 -0.934416
C -2.709895 -0.180365 -0.557213
C -0.758988 -2.998269 0.307869
C -4.030134 0.261955 -0.203085
C -4.052126 -2.016870 -0.301336
C -1.687287 0.784299 -0.790644
C -4.354470 1.631983 -0.073401
C 1.149802 -1.365999 0.504806
C -2.018596 2.148575 -0.665266
C -3.338103 2.569112 -0.306806
C 1.785322 -0.231621 1.155767
C 1.833647 -1.906995 -0.644042
C 3.005307 0.299889 0.688908
C 3.038281 -1.383708 -1.100817
C 3.621397 -0.271923 -0.430640
C 0.261692 2.876529 -1.203876
H -0.933451 -2.112221 -1.687444
H -1.994781 -3.501531 -1.387489
H -1.437096 -3.418961 1.070051
H -0.051331 -3.799886 0.021271
H -4.485488 -3.014925 -0.254380
H -5.815512 -0.881553 0.191219
H -0.679038 0.466644 -1.071891
H -0.439985 -1.403291 1.757534
H -5.362023 1.963631 0.199518
H -3.525361 3.643338 -0.220865
H 1.392801 -2.757053 -1.169400
H 3.459723 1.149680 1.205285
H 3.550900 -1.804572 -1.969872
H 0.777612 3.841593 -1.312893
H 0.325585 2.310705 -2.154705
H 0.738843 2.292072 -0.392268


