%chk=000113806.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113806

0 1
 O   -1.189200      0.2889000      1.7000001E-02
 O  -0.1975000      -1.434200       1.177700    
 N   -4.194900      -1.508800     -0.2759000    
 C   -3.524700      0.9647000      0.1542000    
 C   -2.431200      5.0000002E-04  0.6488000    
 C   -4.819900      0.6097000      0.8982000    
 C   -3.766900      0.7088000      -1.343700    
 C   -2.843600      -1.447300      0.3275000    
 C   -5.162400     -0.8675000      0.6420000    
 C   -4.176800     -0.7581000      -1.550200    
 C  -0.1345000     -0.5133000      0.3730000    
 C    1.108000     -0.1279000     -0.4239000    
 C    1.528000       1.325100     -0.2454000    
 C    2.271800      -1.087900     -0.2125000    
 C    2.166600       1.966400      -1.286500    
 C    3.165900     -0.8354000      0.8070000    
 C    1.256400       1.954800      0.9515000    
 C    2.394500      -2.179400      -1.046700    
 C    2.551200       3.297200      -1.123200    
 C    4.231500      -1.714500       1.000900    
 C    1.640900       3.285700       1.114600    
 C    3.460000      -3.058400     -0.8527000    
 C    2.288200       3.956900      7.7299997E-02
 C    4.378500      -2.825900      0.1712000    
 H   -3.236500       2.008500      0.3162000    
 H   -2.308300      0.1316000       1.732300    
 H   -5.640300       1.250200      0.5533000    
 H   -4.699500      0.7851000       1.973700    
 H   -2.862400      0.9313000      -1.921700    
 H   -4.557700       1.372100      -1.714200    
 H   -2.149400      -1.951200     -0.3558000    
 H   -2.845500      -2.043400       1.249100    
 H   -5.189700      -1.415700       1.592100    
 H   -6.175000     -0.9491000      0.2277000    
 H   -5.166000     -0.8075000      -2.022700    
 H   -3.490500      -1.242000      -2.256400    
 H   0.7916000     -0.2335000      -1.474300    
 H    2.375900       1.460100      -2.224000    
 H    3.072200      2.9000000E-03   1.487200    
 H   0.7689000       1.452400       1.780900    
 H    1.683100      -2.370400      -1.844300    
 H    3.055800       3.819700      -1.930700    
 H    4.943800      -1.537100       1.801400    
 H    1.439700       3.798500       2.050700    
 H    3.574000      -3.924500      -1.498000    
 H    2.588600       4.992800      0.2048000    
 H    5.207200      -3.511300      0.3231000    


%chk=000113806-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113806

0 1
O -1.346030 0.421390 -0.255473
O -0.203480 0.370177 1.772731
N -3.981345 -1.941263 0.370933
C -3.782118 0.508525 -0.489021
C -2.633235 0.189979 0.487865
C -5.112351 0.327075 0.298107
C -3.758552 -0.479022 -1.687516
C -2.768526 -1.302074 0.952591
C -5.195229 -1.170729 0.781706
C -3.874410 -1.941856 -1.121860
C -0.192698 0.483540 0.523847
C 1.040576 0.669602 -0.369525
C 1.878563 1.903908 0.001201
C 1.858070 -0.638942 -0.359893
C 2.549601 2.589435 -1.044276
C 2.627406 -1.020611 0.767552
C 2.041692 2.362546 1.333175
C 1.826856 -1.488944 -1.493015
C 3.369597 3.705443 -0.769830
C 3.355923 -2.229759 0.756452
C 2.859194 3.482851 1.607059
C 2.558283 -2.698576 -1.505894
C 3.528136 4.157238 0.560867
C 3.325976 -3.072418 -0.379803
H -3.684286 1.548559 -0.846447
H -2.634297 0.880677 1.350877
H -5.960790 0.580809 -0.364478
H -5.149547 1.024991 1.156760
H -2.825482 -0.345327 -2.261979
H -4.602473 -0.245036 -2.363280
H -1.881288 -1.874567 0.627067
H -2.820984 -1.362001 2.052910
H -5.278264 -1.229430 1.882096
H -6.078282 -1.678545 0.354493
H -4.764353 -2.459103 -1.523420
H -2.989081 -2.544400 -1.393389
H 0.655964 0.811224 -1.394002
H 2.433717 2.242513 -2.078738
H 2.655315 -0.373706 1.650260
H 1.517248 1.852821 2.147823
H 1.229101 -1.203294 -2.367576
H 3.879973 4.221953 -1.590677
H 3.948113 -2.515191 1.633227
H 2.972098 3.828499 2.641014
H 2.529091 -3.344712 -2.390555
H 4.161968 5.024489 0.777522
H 3.894539 -4.009141 -0.386883


