%chk=000094689.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094689

0 1
 O    2.069500      -2.798400       1.216000    
 O    1.703900      -3.072300     -0.9395000    
 O   -4.872400       2.022900     -7.3899999E-02
 O    4.348300       2.634200      2.9300001E-02
 N    1.378800      -2.706400      0.1954000    
 C  -4.4900000E-02 -0.8567000     -0.5574000    
 C   1.8300001E-02  -2.119900      0.3487000    
 C  -0.9807000      -3.217100     -5.4099999E-02
 C   -1.352000     -7.7500001E-02 -0.4266000    
 C    1.146400      9.0300001E-02 -0.3985000    
 C  -0.7797000      -4.519900      0.7140000    
 C   -1.866000      0.5439000      -1.542700    
 C    1.983600      0.2818000      -1.473200    
 C   -1.969100     -2.3700001E-02  0.8033000    
 C    1.334800      0.7133000      0.8138000    
 C   -3.059300       1.256200      -1.422800    
 C    3.069900       1.144700      -1.327600    
 C   -3.162500      0.6885000      0.9232000    
 C    2.421000       1.576100      0.9592000    
 C   -3.707500       1.328500     -0.1898000    
 C    3.288700       1.791700     -0.1114000    
 C   -5.482800       2.056500       1.215300    
 C    4.513700       3.263200       1.299300    
 H  -2.8600000E-02  -1.230500      -1.594000    
 H  -7.7699997E-02  -1.888100       1.415100    
 H  -0.9201000      -3.431800      -1.128600    
 H   -2.001800      -2.865000      0.1319000    
 H   0.1503000      -5.025900      0.4389000    
 H   -1.600200      -5.210000      0.4906000    
 H  -0.7767000      -4.343000       1.794400    
 H   -1.367900      0.4945000      -2.506100    
 H    1.823200     -0.2159000      -2.424300    
 H   -1.572100     -0.4901000       1.696500    
 H   0.6816000      0.5479000       1.663600    
 H   -3.478900       1.752800      -2.293300    
 H    3.742300       1.308900      -2.165200    
 H   -3.611800      0.7076000       1.910400    
 H    2.534200       2.043400       1.931500    
 H   -6.398100       2.650500       1.124200    
 H   -4.845600       2.561600       1.949000    
 H   -5.782500       1.055900       1.544800    
 H    3.669800       3.920200       1.535800    
 H    5.403700       3.897500       1.232500    
 H    4.702700       2.529400       2.090200    


%chk=000094689-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094689

0 1
O 2.245147 -3.013772 0.922437
O 1.740768 -3.109290 -1.297547
O -5.028716 1.988079 -0.025163
O 4.567173 2.572943 0.111232
N 1.465726 -2.804349 -0.076668
C -0.031614 -0.858489 -0.643129
C 0.091419 -2.169502 0.201119
C -0.988308 -3.228005 -0.124425
C -1.378416 -0.162830 -0.413859
C 1.162569 0.084241 -0.407286
C -0.892170 -4.500029 0.743463
C -2.008297 0.489310 -1.508320
C 2.220152 0.139212 -1.354581
C -2.008663 -0.080524 0.851242
C 1.257726 0.899788 0.744760
C -3.213574 1.193770 -1.350660
C 3.334054 0.974273 -1.156831
C -3.223671 0.620456 1.032197
C 2.371214 1.740254 0.964497
C -3.828307 1.263656 -0.075016
C 3.415652 1.777042 0.007431
C -5.700074 2.098743 1.271946
C 4.706837 3.407803 1.306370
H 0.007094 -1.182063 -1.701566
H 0.126954 -1.950183 1.281966
H -0.908452 -3.485812 -1.197740
H -1.971236 -2.745693 0.021311
H 0.052338 -5.046774 0.571683
H -1.723319 -5.187811 0.506913
H -0.949496 -4.257123 1.820844
H -1.539812 0.448019 -2.498989
H 2.174654 -0.488333 -2.252155
H -1.564235 -0.574226 1.723945
H 0.446074 0.903607 1.480819
H -3.697276 1.695168 -2.194382
H 4.151685 1.016369 -1.882618
H -3.680150 0.655810 2.025962
H 2.409864 2.357394 1.867056
H -6.600064 2.700575 1.078762
H -5.059556 2.613579 2.014500
H -5.993606 1.103944 1.660649
H 3.888569 4.151025 1.377795
H 5.668584 3.927022 1.182921
H 4.730564 2.792524 2.227014


