%chk=000003972.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003972

0 1
 O   -3.888800      0.3094000     -0.6623000    
 O   -3.905600      -1.030200       1.219700    
 O   -5.821400       2.327700       1.725000    
 N  -0.6146000      -3.183100     -0.1954000    
 N    3.964900      0.6589000      0.6308000    
 C   8.8299997E-02  -1.061900      -1.313500    
 C   0.5243000      -2.260100     -0.3721000    
 C   -1.160400     -0.3624000     -0.7601000    
 C    1.221700      -1.809100      0.9715000    
 C   -2.275000      -1.377100     -0.5170000    
 C    1.217000     -6.8800002E-02  -1.488200    
 C   -1.803700      -2.535200      0.3667000    
 C    2.180600      2.4000001E-03 -0.4770000    
 C    2.260000     -0.7722000      0.6975000    
 C    3.240700      0.8869000     -0.5193000    
 C    3.377300     -0.3448000       1.375800    
 C  -0.2680000      -4.387100      0.5541000    
 C    1.359900      0.8163000      -2.561400    
 C   -3.442900     -0.7023000      0.1355000    
 C    5.169700       1.361200       1.016100    
 C    3.402900       1.772000      -1.585900    
 C    2.436200       1.715800      -2.605700    
 C    6.377800      0.4256000       1.093200    
 C    4.982800       2.148700       2.314300    
 C   -5.009200       1.042600     -0.1570000    
 C   -4.669600       1.668300       1.203000    
 C   -5.413900       2.080600      -1.197100    
 C   -3.531400       2.677900       1.108700    
 H  -0.1471000      -1.484300      -2.300700    
 H    1.292100      -2.808700     -0.9405000    
 H  -0.9255000      0.1689000      0.1726000    
 H   -1.492500      0.4087000      -1.467500    
 H    1.692800      -2.670100       1.458800    
 H   0.4882000      -1.389400       1.668600    
 H   -2.622400      -1.787400      -1.474800    
 H   -1.612600      -2.193800       1.392500    
 H   -2.618100      -3.269500      0.4331000    
 H    3.802700     -0.6670000       2.316800    
 H   -1.082500      -5.118000      0.4948000    
 H  -7.5800002E-02  -4.184700       1.613200    
 H   0.6158000      -4.872300      0.1254000    
 H   0.6340000      0.8134000      -3.370500    
 H    5.388000       2.093900      0.2317000    
 H    4.224700       2.475900      -1.642800    
 H    2.525100       2.392000      -3.453400    
 H    7.294200      0.9938000       1.285700    
 H    6.510500     -0.1198000      0.1522000    
 H    6.268400     -0.3133000       1.894400    
 H    4.811600       1.486300       3.169700    
 H    4.125200       2.826500       2.240400    
 H    5.871200       2.751500       2.531100    
 H   -5.856400      0.3534000     -4.1700002E-02
 H   -4.387500      0.9432000       1.965200    
 H   -6.241300       2.707500     -0.8522000    
 H   -4.572100       2.719900      -1.482100    
 H   -5.730300       1.576900      -2.117700    
 H   -3.816000       3.559800      0.5258000    
 H   -2.625800       2.239700      0.6800000    
 H   -3.285500       3.052000       2.109400    
 H   -6.526200       1.663000       1.809400    


%chk=000003972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003972

0 1
O -4.267018 0.137129 -0.346160
O -3.373279 -0.321897 1.764107
O -5.993488 3.031041 1.346221
N -0.576673 -2.943724 -0.343838
N 4.373025 0.449954 0.790070
C 0.207976 -0.730678 -1.134706
C 0.620990 -2.068226 -0.426475
C -0.976482 -0.056718 -0.386498
C 1.364143 -1.858908 0.950900
C -2.175283 -1.045944 -0.275890
C 1.391919 0.220065 -1.262795
C -1.716888 -2.364680 0.394123
C 2.416455 0.079376 -0.301893
C 2.495385 -0.877306 0.767159
C 3.583673 0.901852 -0.281766
C 3.703157 -0.630466 1.417850
C -0.293935 -4.341662 0.024818
C 1.558333 1.231128 -2.229388
C -3.298537 -0.400543 0.512901
C 5.674932 1.017941 1.212714
C 3.745034 1.925545 -1.247388
C 2.718618 2.068190 -2.209770
C 6.797121 -0.044149 1.151216
C 5.569670 1.673823 2.610056
C -5.409684 0.878696 0.296280
C -4.951808 2.342689 0.553249
C -6.606860 0.727343 -0.637760
C -4.751985 3.177338 -0.711928
H -0.156940 -1.014590 -2.142300
H 1.340669 -2.575198 -1.100990
H -0.657109 0.260560 0.624909
H -1.284422 0.854765 -0.931813
H 1.726198 -2.837440 1.318441
H 0.643050 -1.485732 1.705986
H -2.538705 -1.267288 -1.295344
H -1.498982 -2.164548 1.470735
H -2.544808 -3.098559 0.367445
H 4.147062 -1.131240 2.276595
H -1.188716 -4.962319 -0.166935
H -0.006298 -4.487224 1.095201
H 0.529044 -4.728266 -0.603469
H 0.802926 1.383046 -3.010137
H 5.909283 1.808910 0.475992
H 4.618918 2.585602 -1.271672
H 2.819410 2.847693 -2.974041
H 7.772401 0.417177 1.389889
H 6.857320 -0.493257 0.144724
H 6.619430 -0.855138 1.880701
H 5.335907 0.920274 3.383867
H 4.773888 2.438592 2.624287
H 6.526543 2.155404 2.881463
H -5.597093 0.399069 1.277556
H -4.006336 2.297922 1.133609
H -7.431992 1.367671 -0.278991
H -6.348950 1.029156 -1.666769
H -6.953416 -0.319854 -0.661934
H -5.717093 3.354458 -1.216350
H -4.071562 2.660100 -1.411119
H -4.318769 4.157450 -0.451080
H -6.002871 2.653591 2.262936


