%chk=000052433.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052433

0 1
 O    3.339600      0.3244000      -1.039100    
 O   -2.165300      0.2827000     -0.7090000    
 O   -1.996900      -1.003600       1.227800    
 N    6.118000      -1.501500      0.5525000    
 C    2.061800       2.425200      0.4153000    
 C    1.307100       1.325600     -0.2562000    
 C    1.971800      0.3232000     -0.9550000    
 C  -8.5400000E-02   1.307200     -0.1773000    
 C    1.720500       3.810500     -0.1638000    
 C    1.857600       2.430600       1.941400    
 C  -0.1333000     -0.7156000      -1.497400    
 C    1.259200     -0.6974000      -1.576200    
 C  -0.8056000      0.2868000     -0.7979000    
 C    4.015600     -0.8061000     -0.5043000    
 C    5.390600     -0.3709000     -2.3399999E-02
 C  -0.8886000      -1.815500      -2.167900    
 C    5.365200      -2.080200       1.664800    
 C    7.446100      -1.081400      0.9977000    
 C   -2.666000     -0.4159000      0.3913000    
 C   -4.150000     -0.3754000      0.4195000    
 C   -4.835900      -1.441400      0.9649000    
 C   -4.797200      0.7271000     -9.9900000E-02
 C   -6.229900      -1.403400      0.9918000    
 C   -6.191300      0.7650000     -7.2800003E-02
 C   -6.907600     -0.3003000      0.4730000    
 H    3.138900       2.291300      0.2569000    
 H  -0.6249000       2.080700      0.3636000    
 H    1.882000       3.829600      -1.247400    
 H    2.357200       4.581100      0.2843000    
 H   0.6784000       4.089700      2.5400000E-02
 H    2.119800       1.457400       2.371500    
 H   0.8209000       2.651400       2.217000    
 H    2.494800       3.187800       2.411200    
 H    1.784000      -1.473800      -2.126900    
 H    3.411900      -1.211300      0.3147000    
 H    4.107000      -1.568600      -1.286900    
 H    5.285500      0.4534000      0.6953000    
 H    5.943800      4.0399998E-02 -0.8776000    
 H  -0.2510000      -2.386900      -2.851200    
 H   -1.289400      -2.509500      -1.422200    
 H   -1.714100      -1.412300      -2.764000    
 H    4.502800      -2.657900       1.318300    
 H    5.984400      -2.805500       2.207200    
 H    5.033800      -1.325500       2.387500    
 H    8.020600     -0.6696000      0.1605000    
 H    7.397300     -0.3239000       1.788500    
 H    8.015800      -1.938200       1.374900    
 H   -4.319500      -2.307200       1.368800    
 H   -4.261600       1.574100     -0.5179000    
 H   -6.787800      -2.233000       1.416100    
 H   -6.719300       1.625300     -0.4739000    
 H   -7.993000     -0.2704000      0.4945000    


%chk=000052433-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052433

0 1
O 3.322331 0.355994 0.264803
O -2.274682 0.235885 -0.374411
O -2.714371 -1.350233 1.297789
N 6.520060 -1.532946 -0.101950
C 1.845211 2.649877 1.057227
C 1.168752 1.393330 0.504533
C 1.926650 0.252675 0.105880
C -0.231770 1.321117 0.348223
C 1.718912 3.832137 0.057728
C 1.286884 3.041872 2.450151
C -0.113544 -0.965891 -0.573770
C 1.293024 -0.897879 -0.423644
C -0.850847 0.169411 -0.169960
C 4.151134 -0.801095 -0.109297
C 5.606328 -0.399147 0.170451
C -0.783215 -2.200837 -1.140752
C 6.583814 -2.507274 1.007470
C 7.865635 -1.106269 -0.535621
C -3.129338 -0.566599 0.415051
C -4.559327 -0.347094 0.049929
C -5.546261 -1.067262 0.772966
C -4.948655 0.546894 -0.981727
C -6.911373 -0.894029 0.467759
C -6.316419 0.715969 -1.283731
C -7.299030 -0.002327 -0.561270
H 2.918991 2.420087 1.173378
H -0.863350 2.169007 0.632777
H 2.149401 3.569456 -0.925352
H 2.250463 4.722968 0.441926
H 0.659345 4.109641 -0.098525
H 1.390381 2.210348 3.170153
H 0.215311 3.311557 2.396780
H 1.832365 3.917066 2.850115
H 1.884858 -1.763952 -0.734644
H 3.851600 -1.684999 0.489653
H 4.025699 -1.039611 -1.183466
H 5.686882 -0.020612 1.218423
H 5.867725 0.440920 -0.497684
H -0.049690 -2.854503 -1.642025
H -1.272087 -2.780818 -0.336073
H -1.567020 -1.934105 -1.873003
H 5.571466 -2.857158 1.273484
H 7.171016 -3.388646 0.693325
H 7.055625 -2.086188 1.931640
H 7.784548 -0.454893 -1.423448
H 8.435332 -0.551735 0.252734
H 8.459527 -1.994214 -0.818656
H -5.221523 -1.750636 1.564713
H -4.178806 1.095220 -1.531123
H -7.671518 -1.449519 1.027476
H -6.617613 1.405467 -2.079817
H -8.360431 0.131869 -0.798592


