%chk=000150556.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150556

0 1
 O  -0.7354000      8.5100003E-02  -1.422900    
 N   -5.019400      0.7835000      3.7300002E-02
 N   -2.015300      -1.406200     -0.1922000    
 N    1.646700      0.4504000     -0.3422000    
 C   -3.733300      0.2234000      0.4318000    
 C   -3.303200     -0.8567000     -0.5500000    
 C   -5.421900       1.850000      0.9563000    
 C   -6.045300     -0.2604000     -8.1000002E-03
 C    1.605700     -0.8707000     -8.2099997E-02
 C   0.4123000      -1.573300     -0.2266000    
 C    2.743500      -1.580300      0.3377000    
 C  -0.8030000     -0.8912000     -0.6591000    
 C   -4.371300       2.945600       1.019700    
 C   -7.376100      0.2982000     -0.4829000    
 C    3.987400      0.5026000      0.2120000    
 C    3.939200     -0.8691000      0.4809000    
 C    2.800900       1.130800     -0.2027000    
 C   0.3320000      -2.943400      3.4200002E-02
 C    2.666200      -2.959100      0.6009000    
 C    1.461100      -3.638100      0.4487000    
 C    5.175200       1.242200      0.3475000    
 C    2.842500       2.496200     -0.4718000    
 C    5.190200       2.606200      7.2099999E-02
 C    4.021200       3.234200     -0.3384000    
 H   -3.765400     -0.1861000       1.450600    
 H   -2.944600      0.9833000      0.4170000    
 H   -3.251100     -0.4631000      -1.571500    
 H   -3.964800      -1.726100     -0.5446000    
 H   -6.336500       2.337700      0.6036000    
 H   -5.616900       1.468600       1.966500    
 H   -5.798900      -1.028800     -0.7454000    
 H   -6.172400     -0.7564000      0.9622000    
 H   -2.020400      -2.163000      0.4838000    
 H   -3.496400       2.654300       1.609300    
 H   -4.044100       3.255600      2.1199999E-02
 H   -4.794500       3.829200       1.511100    
 H   -7.879200      0.8921000      0.2863000    
 H   -7.262500      0.9074000      -1.386300    
 H   -8.053600     -0.5273000     -0.7301000    
 H    4.840700      -1.387900      0.8045000    
 H  -0.5821000      -3.512800     -0.1078000    
 H    3.545700      -3.511500      0.9242000    
 H    1.406900      -4.704500      0.6449000    
 H    6.095300      0.7587000      0.6684000    
 H    1.939500       3.011000     -0.7950000    
 H    6.108900       3.174900      0.1775000    
 H    4.022100       4.298300     -0.5558000    


%chk=000150556-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150556

0 1
O -1.889930 -1.656818 -1.763353
N -4.790049 1.221062 -0.170677
N -1.383115 -0.459858 0.172949
N 1.219922 -0.208511 0.839435
C -3.335522 1.024579 -0.385652
C -2.790827 -0.159043 0.463869
C -5.620341 0.820572 -1.335583
C -5.154249 2.540218 0.404726
C 1.517305 -0.963033 -0.269301
C 0.452464 -1.446863 -1.134114
C 2.903012 -1.297910 -0.605986
C -1.032944 -1.191847 -0.932788
C -5.535008 -0.685313 -1.653798
C -6.497974 2.526166 1.161592
C 3.631851 -0.044043 1.381732
C 3.932854 -0.822227 0.240016
C 2.227367 0.244684 1.649484
C 0.791414 -2.213279 -2.253664
C 3.185686 -2.091104 -1.770928
C 2.146376 -2.539571 -2.578318
C 4.636517 0.466389 2.276513
C 1.889569 1.032360 2.804144
C 4.274319 1.225947 3.384442
C 2.888400 1.509709 3.648589
H -2.774617 1.945230 -0.125550
H -3.115779 0.806092 -1.450190
H -3.403463 -1.049255 0.242299
H -2.895403 0.073199 1.538574
H -6.671346 1.076010 -1.107540
H -5.337637 1.406418 -2.249254
H -4.357512 2.819386 1.119868
H -5.177496 3.344705 -0.376260
H -0.589246 -0.129266 0.763029
H -4.505866 -1.002223 -1.902409
H -5.878929 -1.278618 -0.787322
H -6.180848 -0.924569 -2.519698
H -7.351487 2.320640 0.491068
H -6.481938 1.746287 1.943107
H -6.679327 3.507375 1.639394
H 4.977273 -1.062694 0.004258
H -0.037839 -2.558647 -2.881030
H 4.229009 -2.332557 -2.006844
H 2.355098 -3.144240 -3.466906
H 5.690801 0.246328 2.070205
H 0.831469 1.239534 2.992469
H 5.041048 1.613181 4.063788
H 2.622540 2.108921 4.526316


