%chk=000093960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093960

0 1
 O    2.909700     -0.5761000      0.4009000    
 O    2.539400       1.460900     -0.6239000    
 N   -2.091100     -0.2044000     -0.4622000    
 C   -1.665600       1.116200      4.2599998E-02
 C   -1.249100      -1.373700     -0.1401000    
 C   0.7076000      0.2075000      0.3093000    
 C  -0.1595000       1.365000     -0.1802000    
 C   0.2512000      -1.087800     -0.3582000    
 C   -2.053900       1.318800       1.517800    
 C   -2.453900       2.169600     -0.7708000    
 C   -1.671900      -2.498500      -1.113800    
 C   -1.517200      -1.898600       1.281600    
 C    2.143300      0.4630000     -3.6800001E-02
 C    4.311000     -0.4619000      0.1338000    
 H   0.6461000      0.1358000       1.400800    
 H   2.4100000E-02   1.522900      -1.253300    
 H   0.1445000       2.296500      0.3163000    
 H   0.8404000      -1.938500      8.8999998E-03
 H   0.4623000      -1.024000      -1.435800    
 H   -3.062700     -0.3853000     -0.2120000    
 H   -1.427400      0.7549000       2.209800    
 H   -1.950900       2.372800       1.803800    
 H   -3.097800       1.037600       1.699600    
 H   -2.174400       3.187900     -0.4763000    
 H   -2.257500       2.072800      -1.845500    
 H   -3.535200       2.065000     -0.6211000    
 H   -1.541200      -2.191500      -2.158500    
 H   -1.071700      -3.402700     -0.9595000    
 H   -2.725400      -2.771400     -0.9781000    
 H   -1.086500      -1.268600       2.060900    
 H   -2.591500      -1.994800       1.477500    
 H   -1.075900      -2.893800       1.416400    
 H    4.720700      0.4219000      0.6323000    
 H    4.488100     -0.4147000     -0.9449000    
 H    4.806700      -1.351100      0.5323000    


%chk=000093960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093960

0 1
O 3.008122 -0.277254 0.747377
O 2.588358 0.895664 -1.219825
N -2.092047 -0.180404 -0.446593
C -1.663021 1.143778 0.083859
C -1.331399 -1.434513 -0.191733
C 0.699404 0.116411 0.189133
C -0.154605 1.333120 -0.235508
C 0.163949 -1.165302 -0.515601
C -1.929478 1.348564 1.611786
C -2.476430 2.212624 -0.690513
C -1.874624 -2.490117 -1.189570
C -1.485727 -2.012391 1.253527
C 2.156901 0.316942 -0.196170
C 4.456929 -0.203605 0.437582
H 0.668171 -0.031081 1.284113
H -0.027980 1.480293 -1.323801
H 0.207522 2.250410 0.266441
H 0.764957 -2.044086 -0.215458
H 0.269820 -1.030222 -1.609179
H -3.108099 -0.319807 -0.367118
H -1.294691 0.702596 2.241628
H -1.733520 2.398383 1.902066
H -2.985750 1.122480 1.851924
H -2.162934 3.233109 -0.403298
H -2.329546 2.084791 -1.776671
H -3.558759 2.118848 -0.473917
H -1.800680 -2.107074 -2.221847
H -1.307897 -3.436260 -1.114100
H -2.938544 -2.717002 -0.980876
H -1.011197 -1.374580 2.018225
H -2.556910 -2.110070 1.512597
H -1.026241 -3.016753 1.321359
H 4.780693 0.848734 0.370590
H 4.670061 -0.706278 -0.521034
H 4.949990 -0.718249 1.274208


