%chk=000099497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099497

0 1
 O   -7.414300     -0.5561000      0.2562000    
 O    2.290200       2.675000      0.3647000    
 O    5.203800      -2.048400     -0.1386000    
 O    5.481700      0.1077000      0.1660000    
 N   -3.834000      0.2676000     -4.0800001E-02
 N   -1.011600     -0.1503000     -0.1771000    
 N    1.052900       2.070100      0.2239000    
 N    3.324200       1.757700      0.2880000    
 N    4.732600     -0.8892000     -4.6999999E-03
 C   -3.044400      0.8723000      -1.120400    
 C   -3.256700      -1.029300      0.3340000    
 C   -1.594700       1.096100     -0.6831000    
 C   -1.814700     -0.8682000      0.8206000    
 C   -5.228400      0.1085000     -0.4519000    
 C   0.3793000     -0.2972000     -0.1310000    
 C    1.300000      0.7649000      5.7300001E-02
 C   -6.067400     -0.4341000      0.6940000    
 C    1.009100      -1.558600     -0.2736000    
 C    2.743800      0.5663000      9.7999997E-02
 C    2.415000      -1.752000     -0.2340000    
 C    3.333400     -0.7028000     -4.7600001E-02
 H   -3.063100      0.2372000      -2.016500    
 H   -3.471000       1.843300      -1.400000    
 H   -3.788900      -1.494700       1.167400    
 H   -3.285100      -1.729100     -0.5121000    
 H   -1.032600       1.464500      -1.550000    
 H   -1.570500       1.865700      9.8499998E-02
 H   -1.793400     -0.3130000       1.767500    
 H   -1.407400      -1.866100       1.021200    
 H   -5.321000     -0.5472000      -1.328200    
 H   -5.646400       1.077500     -0.7542000    
 H   -6.050400      0.2414000       1.555300    
 H   -5.774400      -1.431200       1.027900    
 H   0.3901000      -2.441700     -0.4355000    
 H    2.774300      -2.773400     -0.3588000    
 H   -7.426900      -1.181800     -0.4882000    


%chk=000099497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099497

0 1
O -7.567923 -0.448484 -0.293187
O 2.141854 2.555340 -1.325102
O 5.162973 -2.134094 0.023805
O 5.458127 -0.056818 -0.898432
N -3.823077 0.112607 0.042862
N -0.947668 -0.070540 0.400639
N 0.925899 1.994266 -0.824991
N 3.267930 1.646384 -1.173591
N 4.718804 -0.974404 -0.362768
C -2.927032 1.169590 -0.482337
C -3.131976 -1.193522 0.001123
C -1.642325 1.245801 0.361665
C -1.843135 -1.164451 0.849963
C -5.162306 0.099748 -0.591753
C 0.411228 -0.251506 0.238522
C 1.275340 0.764245 -0.365051
C -6.236702 -0.525237 0.323472
C 1.085544 -1.447529 0.616461
C 2.710083 0.549490 -0.579967
C 2.469969 -1.651685 0.409064
C 3.303316 -0.692431 -0.183051
H -2.653254 0.996181 -1.552984
H -3.443215 2.143806 -0.416510
H -3.792311 -1.977824 0.411381
H -2.864985 -1.486182 -1.047131
H -0.971041 2.014488 -0.044696
H -1.917677 1.515196 1.401720
H -2.107832 -1.009678 1.915157
H -1.341043 -2.136997 0.746630
H -5.153170 -0.432812 -1.578821
H -5.464322 1.143088 -0.794486
H -6.317753 0.057810 1.253477
H -5.983976 -1.574049 0.587892
H 0.537469 -2.246179 1.118935
H 2.935476 -2.589480 0.727384
H -7.578191 -0.992739 -1.121095


