%chk=000022052.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022052

0 1
 O   -1.068100      -1.218300     -0.8670000    
 O  -0.4543000       2.134900     -0.6736000    
 N   -5.576700       1.343700       1.168600    
 C    3.164300      -1.129900     -0.1412000    
 C    3.915100      0.1335000      0.2893000    
 C    1.658100      -1.062000      0.1211000    
 C    5.429900      3.7300002E-02  9.5299996E-02
 C   0.9636000      -2.354600     -0.3047000    
 C    6.134100       1.294700      0.6075000    
 C  -0.5412000      -2.282200     -8.6300001E-02
 C    7.642900       1.190200      0.4529000    
 C   -2.173400     -0.5764000     -0.3718000    
 C   -2.402100      0.7703000     -0.6543000    
 C   -3.074800      -1.285400      0.4224000    
 C   -3.532100       1.408100     -0.1424000    
 C   -1.447500       1.544200      -1.502000    
 C   -4.433300      0.6993000      0.6519000    
 C   -4.204600     -0.6475000      0.9343000    
 H    3.341100      -1.303900      -1.209900    
 H    3.582200      -1.992300      0.3931000    
 H    3.700300      0.3290000       1.347300    
 H    3.529300      0.9914000     -0.2753000    
 H    1.244300     -0.2077000     -0.4265000    
 H    1.478000     -0.8804000       1.187500    
 H    5.655600     -0.1091000     -0.9677000    
 H    5.811400     -0.8404000      0.6311000    
 H    1.373500      -3.203900      0.2536000    
 H    1.163200      -2.529900      -1.369000    
 H    5.774400       2.172300      5.7999998E-02
 H    5.893200       1.452800       1.665300    
 H   -1.003300      -3.223800     -0.4037000    
 H  -0.7145000      -2.137200      0.9880000    
 H    8.037700      0.3410000       1.019700    
 H    8.125900       2.099800      0.8234000    
 H    7.921300       1.061500     -0.5979000    
 H   -2.953700      -2.342100      0.6412000    
 H   -3.710400       2.458800     -0.3604000    
 H  -0.9587000      0.9078000      -2.247300    
 H   -1.966600       2.340000      -2.048100    
 H   -4.903600      -1.212000       1.546200    
 H   -5.742300       2.320500      0.9660000    
 H   -6.229200      0.8305000       1.746300    
 H   0.1493000       2.625300      -1.257400    


%chk=000022052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022052

0 1
O -1.006307 -0.540725 -0.352357
O -0.713129 2.197777 -0.710563
N -6.428716 0.815843 0.561573
C 3.415108 -0.979940 -0.125304
C 4.349316 0.097345 0.469894
C 1.939562 -0.809835 0.300400
C 5.825522 -0.072863 0.045701
C 1.016472 -1.888094 -0.309203
C 6.761696 1.003543 0.641078
C -0.442273 -1.806719 0.148648
C 8.234426 0.825705 0.212522
C -2.377588 -0.273714 -0.084906
C -2.872804 0.948303 -0.622031
C -3.224084 -1.122298 0.658502
C -4.217311 1.294607 -0.391085
C -1.946667 1.844291 -1.431126
C -5.093408 0.449733 0.352046
C -4.574138 -0.765525 0.872039
H 3.482092 -0.950349 -1.233018
H 3.772903 -1.985747 0.181339
H 4.280958 0.070551 1.577750
H 3.992306 1.101882 0.161507
H 1.588890 0.195915 -0.003788
H 1.868001 -0.845871 1.407582
H 5.895143 -0.044066 -1.062070
H 6.183424 -1.078200 0.353005
H 1.395235 -2.893808 -0.032561
H 1.047261 -1.828894 -1.414755
H 6.403975 2.007139 0.332958
H 6.691174 0.975500 1.747733
H -1.032828 -2.651676 -0.262011
H -0.513688 -1.825940 1.257173
H 8.624874 -0.158423 0.534465
H 8.882266 1.606503 0.651962
H 8.336264 0.882057 -0.887905
H -2.854621 -2.061791 1.079733
H -4.595880 2.243028 -0.794049
H -1.691651 1.347958 -2.393069
H -2.440983 2.804219 -1.653753
H -5.223337 -1.433339 1.451052
H -6.788794 1.694884 0.204104
H -7.049878 0.227334 1.107495
H -0.300483 1.331599 -0.443210


