%chk=000088961.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088961

0 1
 O   -1.220400      0.8220000       1.492200    
 O   -1.202800       1.783900      -3.000000    
 N    1.358100       1.663700      2.7200000E-02
 N  -0.8951000       1.518800     -0.7009000    
 N    4.024400      0.6398000      7.1300000E-02
 N   -2.530700      0.3869000      -1.693000    
 C   -2.660300     -4.1900001E-02 -0.3028000    
 C   0.2264000       2.417500     -0.5109000    
 C    1.762200      0.6050000     -0.9063000    
 C    2.493100       2.556700      0.2908000    
 C    2.909400     -0.2276000     -0.3290000    
 C    3.665400       1.789400      0.9072000    
 C   -1.512100      0.8021000      0.3011000    
 C   -1.497500       1.292800      -1.918000    
 C   -2.429400      -1.555800     -0.2514000    
 C   -3.980300      0.3915000      0.3470000    
 C    5.294800      6.4800002E-02  0.1902000    
 C   -3.337600      -2.424900     -0.8603000    
 C   -4.220800      0.1191000       1.695700    
 C   -1.310000      -2.072700      0.4050000    
 C   -4.947100       1.060000     -0.4076000    
 C    5.917700     -0.5527000     -0.9127000    
 C    5.989600      8.6900003E-02   1.415900    
 C   -3.127800      -3.803200     -0.8132000    
 C   -5.421600      0.5129000       2.286500    
 C   -1.099900      -3.450800      0.4520000    
 C   -6.147700       1.453900      0.1831000    
 C   -2.008800      -4.316100     -0.1571000    
 C   -6.385000       1.180300       1.530200    
 C    7.184300      -1.125100     -0.7947000    
 C    7.256200     -0.4855000       1.534000    
 C    7.853400      -1.091500      0.4286000    
 H   0.4713000       2.923400      -1.452100    
 H  -9.4499998E-02   3.169500      0.2194000    
 H    2.070900       1.035200      -1.868900    
 H   0.9437000     -9.3300000E-02  -1.111000    
 H    2.194600       3.346400      0.9908000    
 H    2.822300       3.048000     -0.6348000    
 H    3.217000     -0.9569000      -1.087400    
 H    2.562000     -0.7953000      0.5441000    
 H    3.393500       1.447600       1.914100    
 H    4.512800       2.480100       1.000700    
 H   -3.127200      4.6999998E-02  -2.441800    
 H   -4.214000      -2.043800      -1.378000    
 H   -3.487100     -0.4052000       2.301800    
 H  -0.5662000      -1.446600      0.8839000    
 H   -4.805400       1.292700      -1.458300    
 H    5.420500     -0.5798000      -1.879900    
 H    5.550900      0.5389000       2.302000    
 H   -3.835000      -4.476900      -1.288100    
 H   -5.607000      0.2987000       3.334900    
 H  -0.2272000      -3.850700      0.9601000    
 H   -6.898400       1.973300     -0.4054000    
 H   -1.844700      -5.389100     -0.1212000    
 H   -7.320000       1.486500       1.989900    
 H    7.650800      -1.594500      -1.655800    
 H    7.776500     -0.4619000       2.487000    
 H    8.839600      -1.537100      0.5206000    


%chk=000088961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088961

0 1
O -1.357441 1.189188 1.499961
O -1.055885 1.315542 -3.187006
N 1.391755 1.707167 -0.486923
N -1.024986 1.559620 -0.808478
N 4.010603 0.604129 -0.083866
N -2.524127 0.148505 -1.716919
C -2.706495 -0.039759 -0.255735
C 0.159224 2.449965 -0.716950
C 2.304785 1.546588 -1.637209
C 2.112471 1.960360 0.775460
C 3.281709 0.392128 -1.357543
C 3.106909 0.818114 1.063729
C -1.630268 0.964539 0.296915
C -1.503989 1.025538 -2.049832
C -2.351870 -1.496326 0.126754
C -4.090741 0.414872 0.243064
C 5.267609 -0.023352 0.120506
C -3.367088 -2.477264 0.244139
C -4.405527 0.278093 1.619927
C -0.994344 -1.889093 0.254526
C -5.032231 1.013184 -0.626575
C 6.220322 -0.111435 -0.941656
C 5.647791 -0.549850 1.392863
C -3.032373 -3.827940 0.488801
C -5.650777 0.721437 2.111607
C -0.661748 -3.237064 0.505468
C -6.283155 1.451082 -0.133038
C -1.679243 -4.212661 0.621664
C -6.597768 1.304873 1.236271
C 7.485394 -0.694273 -0.735708
C 6.923570 -1.121415 1.589486
C 7.855815 -1.203799 0.531998
H 0.183096 3.010599 -1.670127
H -0.038917 3.148279 0.115277
H 2.890446 2.478794 -1.827985
H 1.710091 1.316059 -2.539006
H 1.379742 2.012683 1.599966
H 2.681027 2.921664 0.738436
H 3.994364 0.308671 -2.191647
H 2.699440 -0.557910 -1.309974
H 2.532628 -0.107073 1.308120
H 3.704108 1.098637 1.948094
H -2.927522 -0.480517 -2.409616
H -4.419172 -2.185187 0.155757
H -3.668825 -0.160038 2.301213
H -0.193486 -1.144880 0.163289
H -4.783928 1.146890 -1.684572
H 5.986801 0.305824 -1.926530
H 4.944497 -0.538163 2.230617
H -3.827183 -4.576773 0.577812
H -5.881274 0.615306 3.177385
H 0.389555 -3.527246 0.610390
H -7.006072 1.909247 -0.817245
H -1.419631 -5.259138 0.816227
H -7.565878 1.646413 1.619281
H 8.193879 -0.737438 -1.571398
H 7.181506 -1.517317 2.578983
H 8.842608 -1.651677 0.688252


