%chk=000022410.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022410

0 1
 O    1.492400       2.453500     -0.5856000    
 O  -0.2511000       1.506400       1.677600    
 N   -2.104900      0.1532000      2.9600000E-02
 N    2.309700      0.4093000      0.2380000    
 N  -0.8111000      0.4634000     -0.3472000    
 C   -4.751700      -1.008000     -0.3682000    
 C   -4.501800      0.4935000     -0.4630000    
 C   -3.698700      -1.670900      0.5136000    
 C    3.933300      -1.916400     -0.3028000    
 C    4.119700     -0.6144000      -1.080600    
 C    2.498400      -2.048000      0.2067000    
 C   -3.061200      0.7923000     -0.8817000    
 C   -2.284200      -1.302800      6.3100003E-02
 C    3.673800      0.5899000     -0.2564000    
 C    2.078200     -0.8180000       1.007900    
 C    1.357100       1.391000      6.8999999E-03
 C   1.8000000E-03   1.126000      0.5420000    
 H   -5.752900      -1.198200      3.3599999E-02
 H   -4.717600      -1.448300      -1.372200    
 H   -5.196900      0.9392000      -1.183400    
 H   -4.705800      0.9597000      0.5093000    
 H   -3.845400      -1.358400       1.555400    
 H   -3.825000      -2.759100      0.4857000    
 H    4.180400      -2.770600     -0.9428000    
 H    4.626900      -1.938100      0.5467000    
 H    5.169700     -0.5000000      -1.370900    
 H    3.529900     -0.6614000      -2.004600    
 H    1.823300      -2.171000     -0.6495000    
 H    2.404000      -2.946600      0.8262000    
 H   -2.901700      0.4577000      -1.915800    
 H   -2.916900       1.880000     -0.8683000    
 H   -1.571100      -1.748900      0.7678000    
 H   -2.084400      -1.745500     -0.9222000    
 H    4.323800      0.7191000      0.6171000    
 H    3.747200       1.501100     -0.8589000    
 H    1.035000     -0.9208000       1.313300    
 H    2.676100     -0.7396000       1.923900    
 H  -0.4930000      0.1888000      -1.272200    


%chk=000022410-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022410

0 1
O 1.031696 0.043744 -2.105822
O -0.175396 -0.145207 1.308380
N -2.495373 -0.535367 -0.330010
N 2.421240 0.051339 -0.235240
N -1.170544 -0.331837 -0.804510
C -5.394175 -0.238802 -0.188596
C -4.457314 0.377462 0.876208
C -4.729225 -1.478721 -0.830005
C 4.948046 -1.191111 0.580909
C 4.568932 -1.021988 -0.909519
C 3.677324 -1.276117 1.458000
C -3.077138 0.702886 0.274022
C -3.338384 -1.129966 -1.397701
C 3.619310 0.181740 -1.106460
C 2.738473 -0.070350 1.213685
C 1.183633 -0.015119 -0.829000
C -0.097412 -0.175047 0.037283
H -6.365060 -0.515987 0.262945
H -5.606284 0.515895 -0.974348
H -4.893867 1.303099 1.296429
H -4.319790 -0.336595 1.710295
H -4.611519 -2.271616 -0.067212
H -5.357743 -1.886115 -1.644573
H 5.575355 -2.091625 0.719799
H 5.557533 -0.321178 0.903574
H 5.473131 -0.870909 -1.529642
H 4.067097 -1.938283 -1.276679
H 3.126595 -2.210814 1.234412
H 3.944533 -1.302806 2.531637
H -3.172476 1.507328 -0.496384
H -2.379356 1.044925 1.056335
H -2.832895 -2.040155 -1.766969
H -3.456614 -0.423664 -2.260805
H 4.142143 1.121068 -0.831381
H 3.271516 0.261490 -2.147940
H 1.800618 -0.158252 1.779118
H 3.252111 0.864346 1.523132
H -0.963425 -0.258589 -1.815266


