%chk=000077691.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077691

0 1
 O    2.971200      -1.097300      3.7000000E-03
 O    2.972000       1.097900     -6.0000003E-04
 N    2.368200      5.0000002E-04  1.2000001E-03
 C   0.9597000      -2.519600      1.1000000E-03
 C   0.9627000       2.522500     -2.0999999E-03
 C   -3.337700      4.1000000E-03  3.0000001E-04
 C   0.2450000      -1.206300      1.0000000E-03
 C   0.2471000       1.209700     -1.4000000E-03
 C   -1.800100      3.1999999E-03  1.9999999E-04
 C   0.9436000      1.1000000E-03 -3.0000001E-04
 C   -1.149900      -1.205200      1.2000001E-03
 C   -1.147800       1.210700     -1.2000001E-03
 C  -4.8999999E-02  -3.708300      1.2000001E-03
 C    1.865100      -2.667000       1.261400    
 C    1.900400      -2.767800      -1.222500    
 C  -4.5000002E-02   3.711800     -2.4999999E-03
 C    1.867900       2.668600      -1.262900    
 C    1.904000       2.770500       1.221000    
 C   -3.962000       1.418000     -2.2000000E-03
 C   -3.858000     -0.7259000      -1.256800    
 C   -3.857400     -0.7214000       1.260300    
 H   -1.745800      -2.105600      7.9999998E-04
 H   -1.711500       2.125900     -1.9999999E-04
 H   0.4970000      -4.661400      1.4100000E-02
 H  -0.6876000      -3.719100      0.8930000    
 H  -0.6769000      -3.729100     -0.8981000    
 H    1.366800      -3.353000       1.964000    
 H    2.834400      -3.151800       1.092900    
 H    1.979200      -1.771600       1.885500    
 H    2.845500      -3.271700     -0.9893000    
 H    1.404000      -3.456800      -1.922300    
 H    2.073100      -1.894000      -1.862600    
 H  -0.6713000       3.736700      0.8978000    
 H  -0.6825000       3.725800     -0.8952000    
 H   0.5033000       4.663700     -1.6100001E-02
 H    1.983500       1.772100      -1.885000    
 H    2.836800       3.154300      -1.094700    
 H    1.369100       3.352700      -1.966900    
 H    2.072400       1.897700       1.863600    
 H    1.410100       3.463600       1.918600    
 H    2.851200       3.270100      0.9872000    
 H   -3.685900       1.990300     -0.8959000    
 H   -3.686800       1.993000      0.8901000    
 H   -5.057700       1.356000     -2.4999999E-03
 H   -3.472200     -0.2598000      -2.171300    
 H   -4.953000     -0.6952000      -1.305000    
 H   -3.570500      -1.782500      -1.279800    
 H   -3.471700     -0.2516000       2.173100    
 H   -3.569100      -1.777700       1.287200    
 H   -4.952400     -0.6911000       1.308600    


%chk=000077691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077691

0 1
O 3.068385 -0.307287 -1.090183
O 3.067072 0.303348 1.097022
N 2.456115 0.001905 0.002029
C 0.984514 -2.653225 -0.023495
C 1.014706 2.672028 0.019862
C -3.392764 -0.004159 0.000997
C 0.292547 -1.251042 0.005377
C 0.307743 1.277293 -0.008527
C -1.844929 0.028231 -0.000730
C 0.967418 0.011291 -0.001225
C -1.120496 -1.186602 0.013488
C -1.110632 1.231596 -0.016424
C -0.004439 -3.774139 0.418258
C 2.213436 -2.759016 0.934679
C 1.424166 -2.975665 -1.487664
C 0.040842 3.802851 -0.430871
C 2.251187 2.762758 -0.929822
C 1.448543 2.992627 1.486331
C -4.018628 1.414245 -0.023591
C -3.894681 -0.777787 -1.255956
C -3.891254 -0.731519 1.286922
H -1.679863 -2.123190 0.034796
H -1.656527 2.173481 -0.038784
H 0.543043 -4.732920 0.452205
H -0.420767 -3.584657 1.424902
H -0.839123 -3.909884 -0.292725
H 1.975890 -2.374801 1.942830
H 2.492473 -3.823816 1.034480
H 3.106957 -2.235639 0.562459
H 1.877952 -3.984183 -1.524070
H 0.552159 -2.965835 -2.167704
H 2.161157 -2.246225 -1.859392
H -0.796816 3.949307 0.274195
H -0.371368 3.615062 -1.439450
H 0.599143 4.755443 -0.463752
H 3.136726 2.231065 -0.550349
H 2.541883 3.824402 -1.029738
H 2.016890 2.378962 -1.938898
H 2.175038 2.255652 1.863942
H 0.572264 2.993811 2.160952
H 1.913137 3.996185 1.523768
H -3.727822 1.977545 -0.929713
H -3.730816 2.007082 0.864466
H -5.120539 1.328478 -0.023678
H -3.567108 -0.275911 -2.184777
H -4.999862 -0.823761 -1.258275
H -3.513851 -1.814526 -1.279180
H -3.561411 -0.195475 2.195641
H -3.509743 -1.766417 1.347281
H -4.996448 -0.777270 1.293788


