%chk=000062408.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062408

0 1
 O    4.171300      0.6408000       1.011700    
 N   -2.666000      -1.974600      0.3341000    
 C  -0.7910000      0.4942000      0.7170000    
 C   -1.722900      0.1282000     -0.4356000    
 C   -1.558600      -1.409900     -0.4220000    
 C  -0.8622000       2.023000      0.9447000    
 C   -1.393700     -0.2954000       1.975900    
 C   -1.473300      0.9165000      -1.735100    
 C   0.6394000     -2.4900001E-02  0.2776000    
 C  -0.4256000      -1.814300      -1.344200    
 C  -0.6172000       2.836600     -0.3308000    
 C   -1.554600       2.419000      -1.462600    
 C   -2.681200      -1.210500       1.648800    
 C   0.8001000      -1.052500     -0.7442000    
 C    1.793700      0.5084000      0.8649000    
 C    2.079800      -1.433000      -1.161600    
 C    3.060000      0.1003000      0.4365000    
 C    3.201900     -0.8518000     -0.5748000    
 H   -2.757100      0.4057000     -0.1797000    
 H  -0.9249000      -1.761900      0.4072000    
 H  -0.1655000       2.344600       1.725900    
 H   -1.863500       2.281900       1.316500    
 H   -1.687200      0.4116000       2.761400    
 H  -0.6176000     -0.9349000       2.417300    
 H   -2.225700      0.6373000      -2.482000    
 H  -0.4980000      0.7127000      -2.185900    
 H  -0.5980000      -1.548200      -2.390600    
 H  -0.2449000      -2.895200      -1.288900    
 H   0.4232000       2.723200     -0.6563000    
 H  -0.7628000       3.901300     -0.1145000    
 H   -2.585200       2.687700      -1.199600    
 H   -1.304700       2.973900      -2.373900    
 H   -2.817900      -1.926700       2.467100    
 H   -3.570300     -0.5684000       1.646200    
 H   -2.499900      -2.963300      0.5251000    
 H    1.725100       1.249000       1.656100    
 H    2.207600      -2.195100      -1.925400    
 H    4.190100      -1.163100     -0.9043000    
 H    4.961600      0.2508000      0.6001000    


%chk=000062408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062408

0 1
O 4.173499 0.736007 1.037505
N -2.742150 -1.996004 0.293173
C -0.791528 0.487980 0.749788
C -1.709516 0.093183 -0.421878
C -1.480333 -1.450310 -0.301677
C -0.800256 2.020441 0.987404
C -1.458811 -0.320851 1.984052
C -1.444759 0.868072 -1.731311
C 0.622980 -0.057029 0.273415
C -0.448174 -1.862595 -1.355404
C -0.555399 2.815219 -0.321055
C -1.541879 2.389435 -1.439268
C -2.778317 -1.176252 1.611146
C 0.774121 -1.051071 -0.790239
C 1.793610 0.492960 0.837084
C 2.073632 -1.389303 -1.220525
C 3.082086 0.121160 0.390039
C 3.234631 -0.812787 -0.655468
H -2.761168 0.310604 -0.164456
H -0.796672 -1.596287 0.554747
H -0.076401 2.323571 1.768817
H -1.804962 2.286087 1.377639
H -1.795486 0.411554 2.744784
H -0.703734 -0.958533 2.482227
H -2.188304 0.576542 -2.498520
H -0.443173 0.655088 -2.146817
H -0.695675 -1.589046 -2.397195
H -0.198088 -2.941517 -1.334495
H 0.483509 2.649402 -0.667380
H -0.656726 3.899630 -0.120095
H -2.577417 2.640957 -1.127383
H -1.336905 2.965575 -2.362336
H -2.994099 -1.863262 2.452610
H -3.626787 -0.472660 1.547242
H -2.625817 -2.999067 0.523115
H 1.732352 1.239014 1.635317
H 2.187040 -2.141345 -2.010951
H 4.230569 -1.101939 -1.015169
H 5.028806 0.420377 0.653618


