%chk=000038749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038749

2 1
 O    2.436300     -0.2252000     -0.5476000    
 O    1.875900      -1.831100       1.073500    
 O   -2.467400     -0.7183000      0.7743000    
 O   -3.057600      -2.215600     -0.8787000    
 N    5.008200       1.508800     -0.1599000    
 N   -5.348100       1.444500     -9.8399997E-02
 C    3.391200     -0.1907000      0.5167000    
 C    3.875400       1.224100      0.7513000    
 C    1.616600      -1.370900     -0.2632000    
 C    2.627100     -0.7776000       1.678600    
 C   0.1538000     -0.9620000     -0.3802000    
 C    6.170800      0.5372000      9.1600001E-02
 C    4.579800       1.366800      -1.627900    
 C    5.531100       2.938200      4.6000000E-02
 C    1.958600      -2.490100      -1.238500    
 C  -0.7769000      -2.121400     -3.9000001E-02
 C   -3.962400      0.9165000     -0.1700000    
 C   -2.231800      -1.719600     -0.1249000    
 C   -3.811600     -0.2283000      0.8123000    
 C   -6.364800      0.3597000     -0.4787000    
 C   -5.530100       2.627600      -1.058800    
 C   -5.674100       1.927500       1.321500    
 H    4.171000     -0.9116000      0.2646000    
 H    3.088400       1.962800      0.5576000    
 H    4.242300       1.353000       1.776400    
 H    3.272300      -1.172200       2.468000    
 H    1.919100     -6.3800000E-02   2.114700    
 H  -3.8199998E-02 -0.1210000      0.2989000    
 H  -6.1200000E-02 -0.5793000      -1.386200    
 H    5.969700     -0.4343000     -0.3644000    
 H    7.066100      0.9525000     -0.3829000    
 H    6.329200      0.4537000       1.170700    
 H    4.414900      0.3142000      -1.869600    
 H    3.677200       1.964500      -1.784700    
 H    5.393300       1.746200      -2.254900    
 H    6.356800       3.116700     -0.6489000    
 H    5.872600       3.028300       1.081300    
 H    4.708200       3.631800     -0.1502000    
 H    1.683600      -2.224200      -2.264500    
 H    1.491800      -3.441600     -0.9676000    
 H    3.040500      -2.669700      -1.240800    
 H  -0.6449000      -2.951700     -0.7406000    
 H  -0.5978000      -2.514300      0.9680000    
 H   -3.261100       1.727500      6.2100001E-02
 H   -3.761300      0.5924000      -1.198200    
 H   -4.504900      -1.057900      0.6491000    
 H   -3.948600      0.1013000       1.845500    
 H   -7.342300      0.8381000     -0.5978000    
 H   -6.434700     -0.3852000      0.3171000    
 H   -6.050200     -9.2799999E-02  -1.423600    
 H   -4.824000       3.411400     -0.7697000    
 H   -6.559400       2.990100     -0.9817000    
 H   -5.321200       2.276100      -2.073400    
 H   -6.619600       2.478000       1.283100    
 H   -4.868600       2.587700       1.655800    
 H   -5.795100       1.071500       1.989700    


%chk=000038749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038749

2 1
O 3.111643 0.116470 -0.581122
O 1.806845 -1.863585 -0.439336
O -2.952322 0.406370 -1.572666
O -1.933478 1.056928 0.423336
N 5.731389 0.782701 0.872991
N -6.338494 0.736310 0.243233
C 3.848484 -0.900339 0.200259
C 4.642078 -0.228307 1.320981
C 1.877865 -0.554919 -1.141350
C 2.707375 -1.808497 0.723051
C 0.682184 0.335329 -0.756122
C 6.552702 0.241165 -0.296953
C 5.088235 2.114413 0.461914
C 6.662673 1.027430 2.064214
C 2.054787 -0.830558 -2.631696
C -0.656714 -0.249730 -1.261836
C -4.997813 0.167168 -0.276053
C -1.851086 0.474077 -0.678802
C -4.172472 1.133357 -1.151155
C -6.100313 1.947896 1.148792
C -7.026000 -0.364212 1.060097
C -7.253239 1.132545 -0.918311
H 4.504079 -1.492557 -0.468514
H 3.965306 0.330509 1.989972
H 5.163522 -1.007042 1.906035
H 3.014099 -2.842842 0.940239
H 2.205712 -1.362156 1.605993
H 0.649395 0.435985 0.343238
H 0.842337 1.345793 -1.175116
H 5.920867 0.204609 -1.195784
H 7.400226 0.921828 -0.469906
H 6.930639 -0.762437 -0.047876
H 4.323995 1.908487 -0.299982
H 4.623878 2.570464 1.349928
H 5.877368 2.775122 0.071151
H 7.360951 1.839003 1.809971
H 7.224712 0.106400 2.282812
H 6.061126 1.317388 2.939320
H 2.050350 0.110192 -3.207709
H 1.243043 -1.478011 -3.003422
H 3.006243 -1.356661 -2.812662
H -0.735955 -0.231711 -2.361237
H -0.723922 -1.313289 -0.952265
H -5.239618 -0.742685 -0.851622
H -4.410154 -0.114714 0.613726
H -3.876462 2.043126 -0.600622
H -4.672806 1.388675 -2.097105
H -7.061047 2.252799 1.590698
H -5.689860 2.778194 0.556716
H -5.391935 1.669049 1.943356
H -7.215217 -1.232037 0.410155
H -7.978936 0.022779 1.451800
H -6.371097 -0.656430 1.895020
H -8.234907 1.420960 -0.512850
H -7.368314 0.272414 -1.595252
H -6.818044 1.985083 -1.458770


