%chk=000117512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117512

0 1
 O    1.080500      -1.296400     -0.2610000    
 O    1.053800       1.308300     -0.2554000    
 O    1.360000      -3.306600      0.8257000    
 O    1.334200       3.321200      0.8259000    
 N    3.098500      -2.301200     -0.2940000    
 N    3.071200       2.314500     -0.2951000    
 C   -1.049400      7.9999998E-04 -0.3640000    
 C   -2.574100     -1.4900000E-02  0.1466000    
 C  -0.2855000      -1.265400      0.1401000    
 C  -0.3112000       1.277200      0.1485000    
 C  -0.9761000      1.1600000E-02  -1.914600    
 C   -3.338600      -1.262500     -0.3599000    
 C   -3.365300       1.225300     -0.3387000    
 C   -2.676100     -2.5200000E-02   1.692200    
 C    1.802300      -2.382700      0.1511000    
 C    1.775900       2.396000      0.1526000    
 H  -0.7648000      -2.170900     -0.2471000    
 H  -0.3063000      -1.301100       1.234200    
 H  -0.3328000       1.310800       1.242500    
 H  -0.7972000       2.178400     -0.2402000    
 H   -1.440100     -0.8774000      -2.351400    
 H   6.1700001E-02  2.3300000E-02  -2.267100    
 H   -1.458300      0.8961000      -2.340600    
 H   -3.375200      -1.308200      -1.452000    
 H   -4.379500      -1.247600     -1.3300000E-02
 H   -2.902300      -2.194000      1.1700000E-02
 H   -3.403200       1.287300      -1.430100    
 H   -2.945300       2.159000      4.6399999E-02
 H   -4.405300       1.184400      8.6000003E-03
 H   -2.210700     -0.9119000       2.131800    
 H   -3.725800     -3.5599999E-02   2.011400    
 H   -2.224100      0.8626000       2.143100    
 H    3.417500      -1.514700     -0.8497000    
 H    3.777100      -3.024300     -8.0399998E-02
 H    3.389600       1.526800     -0.8496000    
 H    3.749700       3.038600     -8.4600002E-02


%chk=000117512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117512

0 1
O 0.838731 -1.721434 -0.436090
O 1.065861 1.030473 -0.224259
O 2.072851 -1.479176 1.566040
O 1.467240 3.242376 0.492094
N 3.109401 -1.681247 -0.529882
N 3.200338 1.774554 -0.136346
C -1.098973 -0.100444 -0.379434
C -2.623964 -0.044320 0.127850
C -0.424225 -1.354234 0.255480
C -0.373539 1.189186 0.083889
C -1.010473 -0.189792 -1.926772
C -3.488297 -1.123975 -0.585382
C -3.263059 1.343011 -0.178101
C -2.727835 -0.282382 1.664925
C 2.011601 -1.610523 0.320179
C 1.888564 2.129693 0.088533
H -1.071440 -2.239144 0.139495
H -0.191436 -1.204403 1.323959
H -0.476760 1.362463 1.170778
H -0.746518 2.079514 -0.450528
H -1.353707 -1.170098 -2.298821
H 0.036208 -0.059060 -2.245081
H -1.619192 0.597249 -2.407423
H -3.595369 -0.914931 -1.663998
H -4.502566 -1.130320 -0.143888
H -3.075085 -2.143373 -0.475066
H -3.154228 1.629446 -1.239844
H -2.831287 2.147962 0.443127
H -4.345710 1.301995 0.044972
H -2.463117 -1.316795 1.947671
H -3.770731 -0.110912 1.990818
H -2.084782 0.405802 2.243047
H 2.955567 -1.860560 -1.520925
H 4.016650 -1.880190 -0.113840
H 3.426170 0.808896 -0.380510
H 3.927911 2.456292 0.056934


