%chk=000101300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101300

0 1
 O  -0.3281000      -2.984900      0.3594000    
 O   -2.648400      -3.591600      0.3312000    
 O    4.652100       1.271700      0.1682000    
 O    4.122000      -1.352100     -0.5671000    
 N   -2.486800       2.804900      4.4100001E-02
 C   -1.363300       1.878100     -0.2501000    
 C   -1.743600      0.3997000     -9.1100000E-02
 C  -0.1419000       2.166700      0.6530000    
 C   -3.110000      1.7400000E-02 -0.1059000    
 C  -0.7093000     -0.5719000      2.1199999E-02
 C   -3.682700       2.396700     -0.7092000    
 C   -4.193700       1.056600     -0.1909000    
 C   0.9935000       1.214900      0.3482000    
 C   0.7039000     -0.1292000      2.4200000E-02
 C   -1.126500      -1.893900      0.1661000    
 C   -3.468100      -1.327700      2.9999999E-02
 C   -2.458600      -2.253100      0.1660000    
 C   -2.161900       4.195100     -0.2942000    
 C    2.319500       1.670700      0.4112000    
 C    1.786200     -0.9657000     -0.2990000    
 C    3.371900      0.8124000      0.1121000    
 C    3.104600     -0.5016000     -0.2525000    
 C   -1.291200      -4.049100      0.4460000    
 C    5.335800       1.137800       1.413100    
 C    4.524900      -1.402000      -1.934100    
 H   -1.066700       2.001900      -1.303300    
 H  -0.4040000       2.066700       1.714700    
 H   0.2152000       3.189800      0.4942000    
 H   -3.466000       2.335900      -1.784600    
 H   -4.488700       3.130600     -0.5841000    
 H   -4.995000      0.7058000     -0.8523000    
 H   -4.622100       1.188000      0.8111000    
 H   -4.509000      -1.633700      4.3499999E-02
 H   -1.847100       4.304000      -1.338200    
 H   -1.376400       4.592900      0.3545000    
 H   -3.030200       4.844400     -0.1307000    
 H    2.528200       2.702600      0.6842000    
 H    1.625900      -1.994400     -0.6099000    
 H   -1.170100      -4.554900       1.410700    
 H   -1.092600      -4.769900     -0.3554000    
 H    6.343800       1.545000       1.295800    
 H    5.414800      8.3899997E-02   1.697800    
 H    4.819100       1.701400       2.196500    
 H    5.346100      -2.118400      -2.023300    
 H    4.878300     -0.4214000      -2.268000    
 H    3.696800      -1.738500      -2.566000    


%chk=000101300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101300

0 1
O -0.338039 -3.028580 0.182515
O -2.637953 -3.672880 0.233792
O 4.645411 1.365534 0.201254
O 4.090557 -1.423217 -0.515156
N -2.566342 2.847545 -0.040507
C -1.434777 1.907987 -0.267607
C -1.842035 0.438680 -0.081032
C -0.237531 2.213548 0.662627
C -3.200484 0.042931 -0.043786
C -0.772362 -0.526279 0.015815
C -3.792148 2.392296 -0.743775
C -4.300822 1.089130 -0.114733
C 0.919952 1.280343 0.352984
C 0.640908 -0.082363 0.027038
C -1.169913 -1.870126 0.119077
C -3.559052 -1.332085 0.074955
C -2.523606 -2.257552 0.153615
C -2.229345 4.240414 -0.406791
C 2.256675 1.722927 0.410590
C 1.722762 -0.956317 -0.260354
C 3.331080 0.846412 0.148123
C 3.053237 -0.500631 -0.221953
C -1.261459 -4.141039 0.521264
C 5.535074 0.709571 1.189185
C 4.846825 -1.105445 -1.748282
H -1.064741 2.014470 -1.327336
H -0.580242 2.087066 1.709955
H 0.094425 3.259195 0.548944
H -3.606037 2.238810 -1.838634
H -4.559325 3.182068 -0.647061
H -5.160253 0.700697 -0.694288
H -4.667482 1.311379 0.906601
H -4.606632 -1.644697 0.100540
H -1.897505 4.345771 -1.471300
H -1.431059 4.637282 0.241601
H -3.119983 4.876029 -0.260243
H 2.492602 2.759552 0.674634
H 1.545976 -2.001296 -0.525103
H -1.171839 -4.366593 1.601915
H -1.031158 -5.004102 -0.120842
H 6.518476 1.186391 1.058248
H 5.599400 -0.377261 1.003480
H 5.160620 0.893369 2.214158
H 5.630382 -1.875365 -1.820422
H 5.298458 -0.098266 -1.687008
H 4.179903 -1.163702 -2.629601


