%chk=000100812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100812

0 1
 O   0.5867000       2.685400      4.5000002E-02
 O    6.026500      -1.042000     -3.8699999E-02
 N   0.6510000      0.3179000      6.8999998E-02
 N  -0.3344000     -0.6806000      2.2800000E-02
 N   -3.706400       1.741700     -3.6200002E-02
 C   -1.560000     -1.2900000E-02  3.8500000E-02
 C   -1.375000       1.356200      8.1000002E-03
 C   -2.849200     -0.5371000      8.6000003E-03
 C   6.6500001E-02   1.585000      4.5299999E-02
 C    1.991700     -2.1400001E-02  4.1499998E-02
 C   -3.911300      0.4006000     -2.4200000E-02
 C   -2.439400       2.211000     -2.1600001E-02
 C   -3.119300      -1.919900      9.1000004E-03
 C    2.974300      0.9752000     -1.8100001E-02
 C    2.384100      -1.365800      7.3299997E-02
 C   -5.211500     -9.4400004E-02 -4.8799999E-02
 C   -4.432300      -2.379700     -1.7200001E-02
 C   -5.478400      -1.466200     -4.5200001E-02
 C    4.326400      0.6331000     -4.5600001E-02
 C    3.736100      -1.707800      4.5899998E-02
 C    4.707300     -0.7084000     -1.3600000E-02
 C    6.966500      2.9899999E-02 -9.7999997E-02
 H  -0.2282000      -1.521600      0.5747000    
 H   -2.329100       3.287600     -3.3399999E-02
 H   -2.310900      -2.646700      3.1599998E-02
 H    2.743900       2.032800     -4.7800001E-02
 H    1.670000      -2.182700      0.1145000    
 H   -6.052000      0.5972000     -7.3500000E-02
 H   -4.637600      -3.445800     -1.5600000E-02
 H   -6.506100      -1.817200     -6.5700002E-02
 H    5.028700       1.458500     -9.2299998E-02
 H    4.027600      -2.754400      7.0100002E-02
 H    6.862300      0.6057000      -1.023900    
 H    7.966000     -0.4171000     -0.1105000    
 H    6.911000      0.6636000      0.7937000    


%chk=000100812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100812

0 1
O 0.631504 2.786228 -0.289070
O 6.095059 -1.088384 -0.155610
N 0.641938 0.402675 -0.002395
N -0.344629 -0.626759 0.030560
N -3.826249 1.730932 -0.244802
C -1.594949 -0.013376 -0.015943
C -1.424986 1.375957 -0.184405
C -2.900647 -0.596378 0.056634
C 0.012289 1.689736 -0.172347
C 2.021740 0.057121 -0.056878
C -3.995821 0.351219 -0.059468
C -2.572489 2.213540 -0.306368
C -3.175794 -1.987276 0.222961
C 3.006918 1.032793 0.237998
C 2.421481 -1.265681 -0.393834
C -5.333209 -0.146356 0.012445
C -4.498929 -2.439363 0.287620
C -5.581523 -1.513007 0.185720
C 4.373496 0.688311 0.205555
C 3.783337 -1.609453 -0.409179
C 4.768547 -0.636625 -0.107423
C 7.151653 -0.112706 0.126056
H -0.130974 -1.433507 0.624064
H -2.453841 3.293305 -0.447082
H -2.351137 -2.708085 0.285412
H 2.698012 2.054659 0.467997
H 1.678752 -2.014706 -0.686954
H -6.144628 0.582381 -0.075532
H -4.707816 -3.507266 0.411786
H -6.612536 -1.879025 0.238184
H 5.113800 1.461694 0.429221
H 4.106674 -2.621296 -0.670613
H 7.134566 0.719980 -0.603616
H 8.092858 -0.672835 0.027767
H 7.063034 0.291251 1.153338


