%chk=000164461.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164461

0 1
 O   -2.826800      0.5018000      -1.295100    
 N  -0.1159000      -2.459400     -3.4100000E-02
 N    5.268700      0.1847000      6.8200000E-02
 N   -3.968100      0.2863000      0.7183000    
 C   0.9878000      -1.518000     -0.3752000    
 C   0.6820000     -4.5800000E-02  3.3900000E-02
 C    2.337300      -2.057700      0.2291000    
 C   -1.697700     -0.6292000      0.4423000    
 C   -1.423300      -1.886500     -0.3863000    
 C    3.408700      -1.029900      0.1445000    
 C    1.797900      0.9255000     -1.3500000E-02
 C    3.065300      0.3337000      3.9299998E-02
 C  -0.5450000      0.3269000      0.4380000    
 C    4.228000       1.085100     -3.8000001E-03
 C   3.7999999E-02  -3.759100     -0.6961000    
 C    4.781800      -1.101400      0.1610000    
 C   -2.874400      0.1026000     -0.1286000    
 C    1.747100       2.321200     -0.1127000    
 C    4.195100       2.476900     -0.1014000    
 C    2.927300       3.077400     -0.1547000    
 C   -4.859800       1.437500      0.6042000    
 C   -4.300200     -0.6571000       1.778100    
 C   -5.970400       1.155800     -0.3047000    
 C   -6.883500      0.9286000      -1.050500    
 H    1.102400      -1.493400      -1.470800    
 H    2.664900      -2.955700     -0.3064000    
 H    2.194100      -2.328200       1.283400    
 H   -1.851600     -0.9049000       1.489900    
 H   -2.222200      -2.609400     -0.1738000    
 H   -1.471800      -1.681400      -1.465100    
 H  -0.7380000       1.340400      0.7808000    
 H  -0.8053000      -4.416500     -0.4541000    
 H   0.9302000      -4.285500     -0.3449000    
 H   9.3000002E-02  -3.662800      -1.786300    
 H    5.460600      -1.939400      0.2330000    
 H   0.7946000       2.841600     -0.1695000    
 H    6.248900      0.4307000      5.9500001E-02
 H    5.101700       3.070300     -0.1358000    
 H    2.859600       4.160300     -0.2341000    
 H   -5.211700       1.722600       1.601300    
 H   -4.275800       2.276100      0.2071000    
 H   -3.859900      -1.639400       1.589400    
 H   -5.386100     -0.7815000       1.833500    
 H   -3.930700     -0.2599000       2.727700    
 H   -7.693200      0.7267000      -1.712000    


%chk=000164461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000164461

0 1
O -2.756832 1.831987 -0.308272
N -0.278244 -2.082703 -0.015834
N 5.489986 -0.184571 -0.027590
N -4.107250 0.278209 0.769169
C 0.966708 -1.308004 -0.287940
C 0.825714 0.175872 0.121341
C 2.196807 -2.000148 0.403265
C -1.620558 -0.116680 0.659895
C -1.513532 -1.318648 -0.312718
C 3.434520 -1.161929 0.197818
C 2.065328 0.982821 -0.013691
C 3.277260 0.253489 0.012175
C -0.352858 0.702560 0.554228
C 4.559448 0.861277 -0.118885
C -0.290371 -3.398342 -0.692520
C 4.804789 -1.409939 0.162264
C -2.858523 0.742008 0.340655
C 2.176522 2.382558 -0.184625
C 4.669900 2.261557 -0.283073
C 3.458787 2.996325 -0.310621
C -5.298553 1.084776 0.405938
C -4.371386 -0.930155 1.566192
C -6.281229 0.338773 -0.405595
C -7.118182 -0.276155 -1.070309
H 1.184073 -1.304154 -1.390914
H 2.332245 -3.019552 -0.000038
H 1.955410 -2.103201 1.479843
H -1.695619 -0.526534 1.687830
H -2.372968 -2.003101 -0.190727
H -1.538360 -0.931183 -1.361654
H -0.417679 1.761794 0.826604
H -1.229385 -3.925762 -0.448138
H 0.543182 -4.026130 -0.337729
H -0.215531 -3.320536 -1.806484
H 5.358227 -2.342491 0.259336
H 1.278119 3.005812 -0.251180
H 6.500686 -0.087211 -0.087228
H 5.634355 2.770003 -0.389001
H 3.508214 4.082877 -0.446965
H -5.790494 1.454024 1.329001
H -4.917351 1.959820 -0.152715
H -3.438281 -1.449589 1.820586
H -5.022667 -1.627266 1.006320
H -4.886962 -0.660345 2.509053
H -7.843865 -0.801614 -1.664071


