%chk=000048822.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048822

0 1
 O    2.252500      0.8536000     -0.2454000    
 O  -0.5523000      0.3355000       2.155500    
 O  -0.2458000     -0.8337000      -2.382000    
 O    2.398000      -2.888200      0.7559000    
 N   0.9901000      -1.204700       1.440600    
 N    1.143800      -1.788300     -0.8261000    
 C  -7.5999998E-02  0.2525000     -0.2207000    
 C   -1.491100      0.7997000     -0.4573000    
 C   0.9487000       1.379700     -0.4417000    
 C   -2.552700     -0.2753000     -0.2123000    
 C   -3.995500      0.2407000     -0.3665000    
 C   6.0699999E-02 -0.1969000       1.230600    
 C   0.2282000     -0.8350000      -1.246100    
 C   0.7134000       2.534700      0.5112000    
 C   -4.231700       1.413700      0.5882000    
 C   -5.036700     -0.8498000     -0.1107000    
 C    1.580900      -2.010000      0.4743000    
 C    3.251800       1.846900     -0.4352000    
 C    4.613800       1.225000     -0.2125000    
 H   -1.706000       1.620100      0.2250000    
 H   -1.597800       1.193700      -1.475900    
 H   0.8710000       1.739500      -1.477100    
 H   -2.416500      -1.104800     -0.9163000    
 H   -2.450000     -0.7083000      0.7892000    
 H   -4.132900      0.6004000      -1.394200    
 H    1.061600       2.317200       1.527000    
 H    1.271400       3.420300      0.1838000    
 H  -0.3134000       2.895500      0.5620000    
 H    1.203500      -1.431100       2.408000    
 H    1.470300      -2.445100      -1.529300    
 H   -3.698900       2.313900      0.2677000    
 H   -3.925800       1.169400       1.611200    
 H   -5.294300       1.680800      0.6143000    
 H   -4.968600      -1.230300      0.9141000    
 H   -6.051000     -0.4672000     -0.2653000    
 H   -4.888600      -1.691800     -0.7949000    
 H    3.189100       2.255600      -1.449700    
 H    3.164700       2.657400      0.2929000    
 H    5.409600       1.962500     -0.3507000    
 H    4.688100      0.8093000      0.7980000    
 H    4.776400      0.3960000     -0.9093000    


%chk=000048822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048822

0 1
O 2.305728 1.078245 -0.053423
O -0.186313 0.637096 2.424854
O 0.176518 -0.338241 -2.332870
O 1.813467 -3.255003 0.884095
N 0.821603 -1.266389 1.606082
N 0.923561 -1.781579 -0.695410
C -0.008617 0.464514 -0.021804
C -1.493686 0.906903 -0.215142
C 0.971768 1.672623 -0.288597
C -2.508663 -0.254146 -0.118343
C -3.976334 0.181286 -0.379969
C 0.191597 -0.024954 1.422076
C 0.360535 -0.566376 -1.108039
C 0.737738 2.932236 0.555428
C -4.491010 1.180399 0.684796
C -4.895423 -1.061673 -0.444698
C 1.237541 -2.170860 0.617311
C 3.424774 1.814776 -0.669180
C 4.678659 0.956649 -0.504965
H -1.714585 1.661173 0.558590
H -1.577039 1.386543 -1.209151
H 0.867204 1.913484 -1.370199
H -2.244122 -1.038003 -0.857106
H -2.452695 -0.720541 0.887843
H -4.006853 0.683517 -1.371006
H 0.774333 2.708084 1.633122
H 1.509522 3.686264 0.317877
H -0.242444 3.385303 0.325248
H 1.007362 -1.550645 2.573319
H 1.202674 -2.438364 -1.431236
H -3.908437 2.119187 0.694375
H -4.432030 0.735638 1.697046
H -5.547083 1.446127 0.492997
H -4.892146 -1.600943 0.522400
H -5.940044 -0.774659 -0.666027
H -4.563605 -1.768355 -1.228320
H 3.196176 1.993543 -1.742626
H 3.554032 2.798026 -0.170519
H 5.554755 1.470118 -0.941163
H 4.880227 0.768086 0.563604
H 4.553360 -0.015989 -1.010972


