%chk=000076405.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076405

0 1
 O   -8.129700      0.8819000       1.121300    
 O   -8.258600      0.1676000     -0.9505000    
 N    3.956600      -1.384600     -1.5100000E-02
 N   -1.625500      -1.017600      0.2092000    
 N   -1.995800      0.1214000     -0.1606000    
 N   -7.587700      0.4850000      6.1299998E-02
 C    4.718100     -0.6107000     -0.9970000    
 C    4.697700      -2.235600      0.9023000    
 C    2.569300      -1.293100      4.0800001E-02
 C    4.958900      0.7922000     -0.5515000    
 C    4.839700      -3.644300      0.3512000    
 C    1.926600     -0.8528000       1.209500    
 C    1.783100      -1.639400      -1.070400    
 C    4.040500       1.792600     -0.8703000    
 C    6.102100       1.103900      0.1847000    
 C   0.5359000     -0.7613000       1.265600    
 C   0.3924000      -1.547900      -1.014300    
 C  -0.2312000      -1.108900      0.1537000    
 C    4.265400       3.104600     -0.4536000    
 C    6.326900       2.415900      0.6016000    
 C    5.408500       3.416200      0.2824000    
 C   -3.397100      0.2127000     -0.1050000    
 C   -4.014800      0.6505000       1.062200    
 C   -4.156500     -0.1359000      -1.217700    
 C   -6.172000      0.3927000      5.1000002E-03
 C   -5.405600      0.7406000       1.117500    
 C   -5.547300     -4.5699999E-02  -1.162600    
 H    4.215000     -0.6104000      -1.972900    
 H    5.681700      -1.099900      -1.195300    
 H    5.697900      -1.824300       1.082100    
 H    4.212800      -2.279500       1.884600    
 H    5.414200      -4.267800       1.043300    
 H    5.356200      -3.640600     -0.6142000    
 H    3.860300      -4.111500      0.2049000    
 H    2.506900     -0.5672000       2.083900    
 H    2.248700      -1.993900      -1.987000    
 H    3.146000       1.564300      -1.443800    
 H    6.827400      0.3358000      0.4389000    
 H   5.9200000E-02 -0.4165000       2.179500    
 H  -0.1970000      -1.823600      -1.885000    
 H    3.550400       3.883500     -0.7020000    
 H    7.217000       2.658900       1.174300    
 H    5.583600       4.437700      0.6070000    
 H   -3.424900      0.9243000       1.933000    
 H   -3.677300     -0.4777000      -2.131300    
 H   -5.857700       1.086300       2.043700    
 H   -6.111900     -0.3250000      -2.048500    


%chk=000076405-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076405

0 1
O -8.510712 -0.105762 -1.857177
O -8.965758 -0.050967 0.379949
N 3.820729 -0.753968 0.747316
N -1.730702 -0.443028 -0.369922
N -2.580928 -0.382643 0.640121
N -8.140227 -0.108068 -0.616217
C 4.796645 -1.079347 -0.308887
C 4.384824 -0.589216 2.107271
C 2.452978 -0.674410 0.496470
C 5.517358 0.126549 -0.922591
C 4.462689 -1.909309 2.908120
C 1.502623 -0.605866 1.577703
C 1.938155 -0.648134 -0.845093
C 4.929324 1.414879 -0.937186
C 6.790780 -0.055652 -1.518839
C 0.131748 -0.526323 1.332898
C 0.561994 -0.574434 -1.080447
C -0.372049 -0.513587 -0.005706
C 5.600588 2.500508 -1.545182
C 7.460605 1.027020 -2.130540
C 6.865893 2.310311 -2.146292
C -3.947213 -0.315876 0.236037
C -4.403881 -0.312161 -1.117829
C -4.894015 -0.249767 1.297684
C -6.696672 -0.179576 -0.321302
C -5.775270 -0.244254 -1.397137
C -6.270293 -0.181499 1.027510
H 4.288921 -1.660548 -1.100324
H 5.552291 -1.764230 0.123911
H 5.398128 -0.162290 1.990823
H 3.794174 0.164092 2.657939
H 4.919925 -1.728468 3.897940
H 5.081360 -2.657802 2.380695
H 3.461333 -2.346958 3.062828
H 1.850523 -0.637748 2.613783
H 2.619853 -0.649386 -1.700129
H 3.951373 1.569679 -0.468426
H 7.261635 -1.047320 -1.505065
H -0.585614 -0.484418 2.158321
H 0.170781 -0.546577 -2.102862
H 5.135056 3.492392 -1.550329
H 8.444662 0.872490 -2.587042
H 7.384968 3.152242 -2.617323
H -3.661401 -0.363618 -1.918863
H -4.516923 -0.253948 2.324972
H -6.156425 -0.239937 -2.421842
H -7.015431 -0.130166 1.825258


