%chk=000149822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149822

0 1
 O   0.7234000       2.194700      -1.888300    
 O    3.492800      0.8005000       2.374200    
 O    2.889500      -1.084800       3.470600    
 N   -3.427400      0.1367000      0.2944000    
 N    2.186600     -0.9756000      -2.299400    
 N    1.922100      -2.284400     -0.3481000    
 N    2.751600     -0.2859000     -4.3400001E-02
 N    2.114800      -2.230900      0.9785000    
 C   -4.877000     -1.6000001E-02  0.1072000    
 C   -2.857700      -1.020900      0.9982000    
 C   -5.200000      -1.278900     -0.6932000    
 C   -3.114800      -2.316500      0.2273000    
 C   -4.602400      -2.518500     -3.7599999E-02
 C   -3.132600       1.372200       1.019800    
 C   -1.707300       1.814000      0.8192000    
 C   -1.145300       1.798900     -0.4574000    
 C  -0.9489000       2.238500       1.910200    
 C   0.1751000       2.208600     -0.6429000    
 C   0.3715000       2.648100       1.724700    
 C   0.9334000       2.633200      0.4482000    
 C    1.366800      0.8179000      -3.745500    
 C   0.2370000       1.211800      -2.801200    
 C    2.564800      0.2170000      -3.019700    
 C    2.302700      -1.124700     -0.9480000    
 C    1.373600      -3.475300     -0.9507000    
 C    2.617700      -1.001700       1.111800    
 C    2.990000     -0.4779000       2.391100    
 H   -5.274800      0.8438000     -0.4456000    
 H   -5.393800     -4.9800001E-02   1.075400    
 H   -1.772100     -0.9123000       1.108000    
 H   -3.277900      -1.110100       2.009000    
 H   -6.286300      -1.394200     -0.7804000    
 H   -4.805800      -1.178500      -1.712400    
 H   -2.573200      -2.289200     -0.7270000    
 H   -2.721200      -3.168500      0.7931000    
 H   -4.755100      -3.393900     -0.6783000    
 H   -5.119200      -2.717200      0.9094000    
 H   -3.374700       1.272200       2.086300    
 H   -3.754700       2.194500      0.6403000    
 H   -1.766100       1.508700      -1.300400    
 H   -1.373700       2.255200       2.910200    
 H   0.9627000       2.977100       2.574200    
 H    1.963100       2.951500      0.3099000    
 H   0.9821000      0.1047000      -4.484300    
 H    1.708100       1.705200      -4.292300    
 H  -0.1319000      0.3111000      -2.295200    
 H  -0.5833000       1.649200      -3.381900    
 H    3.022200      0.9624000      -2.358100    
 H    3.329700     -5.0900001E-02  -3.757500    
 H    1.818600      -1.732500      -2.870200    
 H   0.4349000      -3.211600      -1.444400    
 H    1.185800      -4.223500     -0.1761000    
 H    2.096800      -3.863500      -1.671900    
 H    3.728200       1.107900       3.275600    


%chk=000149822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149822

0 1
O 0.850577 2.329175 -1.731070
O 1.145999 -0.653898 2.175693
O 0.914897 -2.927510 2.611122
N -3.360948 0.387600 0.710891
N 2.632138 -1.162473 -2.797174
N 2.218771 -3.137934 -1.420023
N 1.894096 -1.122352 -0.472312
N 1.811506 -3.427392 -0.109225
C -4.754329 -0.122782 0.670244
C -2.498243 -0.438819 1.597026
C -4.796776 -1.583820 0.178647
C -2.476394 -1.911754 1.140753
C -3.908947 -2.485387 1.066768
C -3.309146 1.826556 1.062574
C -1.956182 2.473242 0.774254
C -1.207192 2.060934 -0.354948
C -1.462710 3.507108 1.602534
C 0.031160 2.677385 -0.642387
C -0.228251 4.130551 1.296271
C 0.524228 3.721897 0.179120
C 1.543949 0.987009 -3.593436
C 0.401921 1.227025 -2.600525
C 2.774526 0.301154 -2.948909
C 2.256948 -1.756713 -1.616392
C 2.540130 -4.215695 -2.350413
C 1.640513 -2.172261 0.410066
C 1.206246 -2.004878 1.813895
H -5.342908 0.525758 -0.007033
H -5.235907 -0.068292 1.684129
H -1.476539 -0.019557 1.575308
H -2.863933 -0.386855 2.658322
H -5.844863 -1.941272 0.178794
H -4.429171 -1.618415 -0.865655
H -2.002126 -1.966567 0.140841
H -1.852436 -2.504744 1.835727
H -3.894157 -3.521285 0.678191
H -4.338555 -2.530163 2.089367
H -3.574431 2.005230 2.137169
H -4.088839 2.337023 0.460135
H -1.612221 1.242330 -0.957459
H -2.035556 3.822471 2.482828
H 0.154250 4.931965 1.938651
H 1.487659 4.179768 -0.065317
H 1.175642 0.375287 -4.440679
H 1.851964 1.966774 -4.006141
H 0.204481 0.326454 -1.987232
H -0.529506 1.525376 -3.124258
H 2.948147 0.729885 -1.947782
H 3.674215 0.491751 -3.563775
H 2.748527 -1.746489 -3.624346
H 1.823410 -4.251412 -3.192176
H 2.476634 -5.161650 -1.794494
H 3.566303 -4.101528 -2.745741
H 0.849827 -0.599910 3.124983


